![8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid structure](/static/products/1003/100374-59-2.webp)
8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid
TL;DR: 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid (CAS 100374-59-2) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid
Also Known As: 8-[(carboxymethyl)sulfanyl]-1-naphthoic acid, IFLab1_000248, 8-[(carboxymethyl)thio]-1-naphthoic acid, IDI1_008467, 8-((carboxymethyl)thio)-1-naphthoic acid
| Molecular Formula | C13H10O4S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.02997 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 100374-59-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)SCC(=O)O |
| InChIKey | HPROFDIZIJXVRT-UHFFFAOYSA-N |
Product Overview
8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid (CAS 100374-59-2), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid.
Chemical Property Profile of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid
Property Insights of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid. Following Lipinski's Rule of Five, 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid 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 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid?
The CAS number of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid is 100374-59-2.
What is the molecular formula of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid?
The molecular formula of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid is C13H10O4S.
What is the molecular weight of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid?
The molecular weight of 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid is 262.03 g/mol.
Where can I buy 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid?
You can request a quote for 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-[(Carboxymethyl)sulfanyl]-1-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.