5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid
TL;DR: 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid (CAS 91144-10-4) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(carboxymethylsulfanylmethyl)-2-methoxybenzoic acid
Also Known As: BIM-0017871.P001, 5-(carboxymethylsulfanylmethyl)-2-methoxybenzoic acid, 5-[(carboxymethylthio)methyl]-2-methoxybenzoic acid, 5-{[(carboxymethyl)sulfanyl]methyl}-2-methoxybenzoic acid, 5-(((carboxymethyl)thio)methyl)-2-methoxybenzoic acid
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 1.7112 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 429.87 |
Chemical Identifiers
| CAS Number | 91144-10-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSCC(=O)O)C(=O)O |
Product Overview
5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid (CAS 91144-10-4), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: 5-(carboxymethylsulfanylmethyl)-2-methoxybenzoic acid.
Chemical Property Profile of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid
Property Insights of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid
The XLogP value of 1.7112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid has 2 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 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid?
The CAS number of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid is 91144-10-4.
What is the molecular formula of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid?
The molecular formula of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid is C11H12O5S.
What is the molecular weight of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid?
The molecular weight of 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid is 256.04 g/mol.
Where can I buy 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid?
You can request a quote for 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Carboxymethylsulfanylmethyl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.