8-((1-Carboxyethyl)thio)-1-naphthoic acid
TL;DR: 8-((1-Carboxyethyl)thio)-1-naphthoic acid (CAS 694473-66-0) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1-carboxyethylsulfanyl)naphthalene-1-carboxylic acid
Also Known As: CBKinase1_004450, CBKinase1_016850, 8-((1-carboxyethyl)thio)-1-naphthoic acid, 8-[(1-carboxyethyl)thio]-1-naphthoic acid, BRD-A40399409-001-01-0
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.1032 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 645.68604 |
Chemical Identifiers
| CAS Number | 694473-66-0 |
|---|---|
| SMILES | CC(C(=O)O)SC1=CC=CC2=C1C(=CC=C2)C(=O)O |
Product Overview
8-((1-Carboxyethyl)thio)-1-naphthoic acid (CAS 694473-66-0), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: 8-(1-carboxyethylsulfanyl)naphthalene-1-carboxylic acid.
Chemical Property Profile of 8-((1-Carboxyethyl)thio)-1-naphthoic acid
Property Insights of 8-((1-Carboxyethyl)thio)-1-naphthoic acid
The XLogP value of 3.1032 indicates that 8-((1-Carboxyethyl)thio)-1-naphthoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((1-Carboxyethyl)thio)-1-naphthoic acid. Following Lipinski's Rule of Five, 8-((1-Carboxyethyl)thio)-1-naphthoic acid has 2 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 8-((1-Carboxyethyl)thio)-1-naphthoic acid?
The CAS number of 8-((1-Carboxyethyl)thio)-1-naphthoic acid is 694473-66-0.
What is the molecular formula of 8-((1-Carboxyethyl)thio)-1-naphthoic acid?
The molecular formula of 8-((1-Carboxyethyl)thio)-1-naphthoic acid is C14H12O4S.
What is the molecular weight of 8-((1-Carboxyethyl)thio)-1-naphthoic acid?
The molecular weight of 8-((1-Carboxyethyl)thio)-1-naphthoic acid is 276.05 g/mol.
Where can I buy 8-((1-Carboxyethyl)thio)-1-naphthoic acid?
You can request a quote for 8-((1-Carboxyethyl)thio)-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-((1-Carboxyethyl)thio)-1-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-((1-Carboxyethyl)thio)-1-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.