(邻羧苯基硫代)乙酸
TL;DR: (邻羧苯基硫代)乙酸 (CAS 135-13-7) is a chemical compound with molecular formula C9H8O4S and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(邻羧苯基硫代)乙酸
2-(carboxymethylsulfanyl)benzoic acid
Also Known As: 2-(Carboxymethylthio)benzoic acid, 2-[(carboxymethyl)thio]benzoic acid, 2-((Carboxymethyl)thio)benzoic acid, (o-Carboxyphenylthio)acetic acid, 2-(carboxymethylsulfanyl)benzoic acid
| Molecular Formula | C9H8O4S |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.01433 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 135-13-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)O |
| InChIKey | GMBZSYUPMWCDGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(邻羧苯基硫代)乙酸 (CAS 135-13-7), with molecular formula C9H8O4S and molecular weight 212.01 g/mol. IUPAC: 2-(carboxymethylsulfanyl)benzoic acid.
Chemical Property Profile of (邻羧苯基硫代)乙酸
Property Insights of (邻羧苯基硫代)乙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (邻羧苯基硫代)乙酸. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (邻羧苯基硫代)乙酸. Following Lipinski's Rule of Five, (邻羧苯基硫代)乙酸 has 2 hydrogen bond donor(s) and 5 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 (邻羧苯基硫代)乙酸?
The CAS number of (邻羧苯基硫代)乙酸 is 135-13-7.
What is the molecular formula of (邻羧苯基硫代)乙酸?
The molecular formula of (邻羧苯基硫代)乙酸 is C9H8O4S.
What is the molecular weight of (邻羧苯基硫代)乙酸?
The molecular weight of (邻羧苯基硫代)乙酸 is 212.01 g/mol.
Where can I buy (邻羧苯基硫代)乙酸?
You can request a quote for (邻羧苯基硫代)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (邻羧苯基硫代)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (邻羧苯基硫代)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.