![5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid structure](/static/products/6944/694473-56-8.webp)
5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid
TL;DR: 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid (CAS 694473-56-8) is a chemical compound with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-8-(1-carboxyethylsulfanyl)naphthalene-1-carboxylic acid
Also Known As: ChemDiv3_005735, CBKinase1_004256, CBKinase1_016656, IDI1_023645, 5-bromo-8-((1-carboxyethyl)thio)-1-naphthoic acid
| Molecular Formula | C14H11BrO4S |
|---|---|
| Molecular Weight | 353.96 g/mol |
| LogP | 3.8657 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.95615 |
| Heavy Atoms | 20 |
| Complexity | 698.87854 |
Chemical Identifiers
| CAS Number | 694473-56-8 |
|---|---|
| SMILES | CC(C(=O)O)SC1=C2C(=C(C=C1)Br)C=CC=C2C(=O)O |
Product Overview
5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid (CAS 694473-56-8), with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol. IUPAC: 5-bromo-8-(1-carboxyethylsulfanyl)naphthalene-1-carboxylic acid.
Chemical Property Profile of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid
Property Insights of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid
The XLogP value of 3.8657 indicates that 5-Bromo-8-[(1-carboxyethyl)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-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-8-[(1-carboxyethyl)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-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid?
The CAS number of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid is 694473-56-8.
What is the molecular formula of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid?
The molecular formula of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid is C14H11BrO4S.
What is the molecular weight of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid?
The molecular weight of 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid is 353.96 g/mol.
Where can I buy 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid?
You can request a quote for 5-Bromo-8-[(1-carboxyethyl)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-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-8-[(1-carboxyethyl)sulfanyl]naphthalene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.