3-(1-Carboxy-4-mercaptobutoxy)benzoic acid
TL;DR: 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid (CAS 378242-30-9) is a chemical compound with molecular formula C12H14O5S and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-carboxy-4-sulfanylbutoxy)benzoic acid
Also Known As: CMBO-benzoate, Thiol-Based Inhibitor, 26a, 3-(1-carboxy-4-mercaptobutoxy)benzoic acid, 3-(1-carboxy-4-sulfanylbutoxy)benzoic acid, Benzoic acid, 3-(1-carboxy-4-mercaptobutoxy)-
| Molecular Formula | C12H14O5S |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 1.9268 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.05618 |
| Heavy Atoms | 18 |
| Complexity | 432.23087 |
Chemical Identifiers
| CAS Number | 378242-30-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(CCCS)C(=O)O)C(=O)O |
Product Overview
3-(1-Carboxy-4-mercaptobutoxy)benzoic acid (CAS 378242-30-9), with molecular formula C12H14O5S and molecular weight 270.06 g/mol. IUPAC: 3-(1-carboxy-4-sulfanylbutoxy)benzoic acid.
Chemical Property Profile of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid
Property Insights of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid
The XLogP value of 1.9268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid. Following Lipinski's Rule of Five, 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid has 3 hydrogen bond donor(s) and 4 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 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid?
The CAS number of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid is 378242-30-9.
What is the molecular formula of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid?
The molecular formula of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid is C12H14O5S.
What is the molecular weight of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid?
The molecular weight of 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid is 270.06 g/mol.
Where can I buy 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid?
You can request a quote for 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Carboxy-4-mercaptobutoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.