![2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid structure](/static/products/5367/536726-89-3.webp)
2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid
TL;DR: 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid (CAS 536726-89-3) is a chemical compound with molecular formula C10H10BrNO3S and molecular weight 302.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-(4-bromoanilino)-2-oxoethyl]thio}acetic acid, 2-[(4-bromophenyl)carbamoylmethylsulfanyl]acetic Acid, 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetic acid
| Molecular Formula | C10H10BrNO3S |
|---|---|
| Molecular Weight | 302.96 g/mol |
| LogP | 2.2054 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.95648 |
| Heavy Atoms | 16 |
| Complexity | 380.15546 |
Chemical Identifiers
| CAS Number | 536726-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSCC(=O)O)Br |
Product Overview
2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid (CAS 536726-89-3), with molecular formula C10H10BrNO3S and molecular weight 302.96 g/mol. IUPAC: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid
Property Insights of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid
The XLogP value of 2.2054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic 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 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid?
The CAS number of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid is 536726-89-3.
What is the molecular formula of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid?
The molecular formula of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid is C10H10BrNO3S.
What is the molecular weight of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid?
The molecular weight of 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid is 302.96 g/mol.
Where can I buy 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid?
You can request a quote for 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Bromoanilino)-2-oxoethyl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.