4-Isopropoxybenzoic acid
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MedKoo CAT#: 591868

CAS#: 13205-46-4

Description: 4-Isopropoxybenzoic acid is a Selective Inhibitor of Centromere-Associated Protein E.


Chemical Structure

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4-Isopropoxybenzoic acid
CAS# 13205-46-4

Theoretical Analysis

MedKoo Cat#: 591868
Name: 4-Isopropoxybenzoic acid
CAS#: 13205-46-4
Chemical Formula: C10H12O3
Exact Mass: 180.0786
Molecular Weight: 180.2
Elemental Analysis: C, 66.65; H, 6.71; O, 26.63

Price and Availability

Size Price Availability Quantity
5.0g USD 210.0 2 Weeks
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Synonym: 4-Isopropoxybenzoic acid; AI3-12104; AI3 12104; AI312104

IUPAC/Chemical Name: 4-Isopropoxybenzoic acid

InChi Key: ZVERWTXKKWSSHH-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)

SMILES Code: O=C(O)C1=CC=C(OC(C)C)C=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 180.2 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Reconstitution Calculator

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1: Qian X, McDonald A, Zhou HJ, Adams ND, Parrish CA, Duffy KJ, Fitch DM, Tedesco R, Ashcraft LW, Yao B, Jiang H, Huang JK, Marin MV, Aroyan CE, Wang J, Ahmed S, Burgess JL, Chaudhari AM, Donatelli CA, Darcy MG, Ridgers LH, Newlander KA, Schmidt SJ, Chai D, Colón M, Zimmerman MN, Lad L, Sakowicz R, Schauer S, Belmont L, Baliga R, Pierce DW, Finer JT, Wang Z, Morgan BP, Morgans DJ Jr, Auger KR, Sung CM, Carson JD, Luo L, Hugger ED, Copeland RA, Sutton D, Elliott JD, Jackson JR, Wood KW, Dhanak D, Bergnes G, Knight SD. Discovery of the First Potent and Selective Inhibitor of Centromere-Associated Protein E: GSK923295. ACS Med Chem Lett. 2010 Jan 19;1(1):30-4. doi: 10.1021/ml900018m. eCollection 2010 Apr 8. PubMed PMID: 24900171; PubMed Central PMCID: PMC4007900.

2: Kirk TK, Lorenz LF. Oxygenation of 4-alkoxyl groups in alkoxybenzoic acids by Polyporus dichrous. Appl Microbiol. 1974 Feb;27(2):360-7. PubMed PMID: 4823422; PubMed Central PMCID: PMC380036.