![5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid structure](/static/products/2087/20875-67-6.webp)
5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
TL;DR: 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid (CAS 20875-67-6) is a chemical compound with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid
Also Known As: CBKinase1_004054, CBKinase1_016454, 5-bromo-8-((carboxymethyl)thio)-1-naphthoic acid, VU0047517-1, 5-bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
| Molecular Formula | C13H9BrO4S |
|---|---|
| Molecular Weight | 339.94 g/mol |
| LogP | 3.4772 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.9405 |
| Heavy Atoms | 19 |
| Complexity | 668.98596 |
Chemical Identifiers
| CAS Number | 20875-67-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)C(=O)O)SCC(=O)O)Br |
Product Overview
5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid (CAS 20875-67-6), with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol. IUPAC: 5-bromo-8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid.
Chemical Property Profile of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
Property Insights of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
The XLogP value of 3.4772 indicates that 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic 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 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic 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 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid?
The CAS number of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid is 20875-67-6.
What is the molecular formula of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid?
The molecular formula of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid is C13H9BrO4S.
What is the molecular weight of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid?
The molecular weight of 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid is 339.94 g/mol.
Where can I buy 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid?
You can request a quote for 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.