N-Acetyl-S-(4-bromophenyl)cysteine
TL;DR: N-Acetyl-S-(4-bromophenyl)cysteine (CAS 126253-78-9) is a chemical compound with molecular formula C11H12BrNO3S and molecular weight 316.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(4-bromophenyl)sulfanylpropanoic acid
Also Known As: P-Bpma, S-(4-Bromophenyl)mercapturic acid, N-Acetyl-S-(4-bromophenyl)cysteine, para-Bromophenylmercapturic acid, 4-Bromophenylmercapturic acid
| Molecular Formula | C11H12BrNO3S |
|---|---|
| Molecular Weight | 316.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.97214 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 126253-78-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC1=CC=C(C=C1)Br)C(=O)O |
| InChIKey | FZPBUFAQZNZYPA-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyl-S-(4-bromophenyl)cysteine (CAS 126253-78-9), with molecular formula C11H12BrNO3S and molecular weight 316.97 g/mol. IUPAC: (2R)-2-acetamido-3-(4-bromophenyl)sulfanylpropanoic acid.
Chemical Property Profile of N-Acetyl-S-(4-bromophenyl)cysteine
Property Insights of N-Acetyl-S-(4-bromophenyl)cysteine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-(4-bromophenyl)cysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-(4-bromophenyl)cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(4-bromophenyl)cysteine has 2 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 N-Acetyl-S-(4-bromophenyl)cysteine?
The CAS number of N-Acetyl-S-(4-bromophenyl)cysteine is 126253-78-9.
What is the molecular formula of N-Acetyl-S-(4-bromophenyl)cysteine?
The molecular formula of N-Acetyl-S-(4-bromophenyl)cysteine is C11H12BrNO3S.
What is the molecular weight of N-Acetyl-S-(4-bromophenyl)cysteine?
The molecular weight of N-Acetyl-S-(4-bromophenyl)cysteine is 316.97 g/mol.
Where can I buy N-Acetyl-S-(4-bromophenyl)cysteine?
You can request a quote for N-Acetyl-S-(4-bromophenyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-S-(4-bromophenyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-(4-bromophenyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.