(4-Bromophenylsulfanyl)pyruvic acid
TL;DR: (4-Bromophenylsulfanyl)pyruvic acid (CAS 104186-14-3) is a chemical compound with molecular formula C9H7BrO3S and molecular weight 273.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)sulfanyl-2-oxopropanoic acid
Also Known As: (4-bromophenylsulfanyl)pyruvic acid, S-(4-Bromophenyl)-mercaptopyruvate, S-(4-bromophenyl)mercaptopyruvic acid, 3-(4-Bromophenylthio)pyruvic acid, 3-[(4-Bromophenyl)thio]pyruvic acid
| Molecular Formula | C9H7BrO3S |
|---|---|
| Molecular Weight | 273.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.92993 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 104186-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)C(=O)O)Br |
| InChIKey | QJDFZNIKGFGPCR-UHFFFAOYSA-N |
Product Overview
(4-Bromophenylsulfanyl)pyruvic acid (CAS 104186-14-3), with molecular formula C9H7BrO3S and molecular weight 273.93 g/mol. IUPAC: 3-(4-bromophenyl)sulfanyl-2-oxopropanoic acid.
Chemical Property Profile of (4-Bromophenylsulfanyl)pyruvic acid
Property Insights of (4-Bromophenylsulfanyl)pyruvic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenylsulfanyl)pyruvic acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromophenylsulfanyl)pyruvic acid. Following Lipinski's Rule of Five, (4-Bromophenylsulfanyl)pyruvic acid has 1 hydrogen bond donor(s) and 4 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 (4-Bromophenylsulfanyl)pyruvic acid?
The CAS number of (4-Bromophenylsulfanyl)pyruvic acid is 104186-14-3.
What is the molecular formula of (4-Bromophenylsulfanyl)pyruvic acid?
The molecular formula of (4-Bromophenylsulfanyl)pyruvic acid is C9H7BrO3S.
What is the molecular weight of (4-Bromophenylsulfanyl)pyruvic acid?
The molecular weight of (4-Bromophenylsulfanyl)pyruvic acid is 273.93 g/mol.
Where can I buy (4-Bromophenylsulfanyl)pyruvic acid?
You can request a quote for (4-Bromophenylsulfanyl)pyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenylsulfanyl)pyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenylsulfanyl)pyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.