![2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid structure](/static/products/2520/252027-06-8.webp)
2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid
TL;DR: 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid (CAS 252027-06-8) is a chemical compound with molecular formula C16H13BrClNO3S and molecular weight 412.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-(4-bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid, 2-[2-(4-bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid, 2-({[(4-bromophenyl)carbamoyl](4-chlorophenyl)methyl}sulfanyl)acetic acid, 2-({[(4-bromophenyl)carbamoyl](4-chlorophenyl)methyl}sulfanyl)aceticacid, 2-[(4-bromophenyl)carbamoyl-(4-chlorophenyl)methyl]sulfanylacetic Acid
| Molecular Formula | C16H13BrClNO3S |
|---|---|
| Molecular Weight | 412.95 g/mol |
| LogP | 4.6001 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.9488 |
| Heavy Atoms | 23 |
| Complexity | 691.47644 |
Chemical Identifiers
| CAS Number | 252027-06-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(=O)NC2=CC=C(C=C2)Br)SCC(=O)O)Cl |
Product Overview
2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid (CAS 252027-06-8), with molecular formula C16H13BrClNO3S and molecular weight 412.95 g/mol. IUPAC: 2-[2-(4-bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid
Property Insights of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid
The XLogP value of 4.6001 indicates that 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}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)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid?
The CAS number of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid is 252027-06-8.
What is the molecular formula of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid?
The molecular formula of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid is C16H13BrClNO3S.
What is the molecular weight of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid?
The molecular weight of 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid is 412.95 g/mol.
Where can I buy 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid?
You can request a quote for 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}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)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Bromoanilino)-1-(4-chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.