1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid
TL;DR: 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid (CAS 505071-93-2) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylic acid
Also Known As: 1-(3,4-dimethyl-benzenesulfonyl)-cyclopropane-carboxylic acid, 4445AE, 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid, BAS 02875834, 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylic acid
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.69434 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 582.52325 |
Chemical Identifiers
| CAS Number | 505071-93-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2(CC2)C(=O)O)C |
Product Overview
1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid (CAS 505071-93-2), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid
Property Insights of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid
The XLogP value of 1.69434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid. Following Lipinski's Rule of Five, 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid?
The CAS number of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid is 505071-93-2.
What is the molecular formula of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid?
The molecular formula of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid is C12H14O4S.
What is the molecular weight of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid?
The molecular weight of 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid is 254.06 g/mol.
Where can I buy 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid?
You can request a quote for 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.