S-(3-溴苯基)硫醚氨酸
TL;DR: S-(3-溴苯基)硫醚氨酸 (CAS 127780-16-9) 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.
S-(3-溴苯基)硫醚氨酸
(2R)-2-acetamido-3-(3-bromophenyl)sulfanylpropanoic acid
Also Known As: M-Bpma, meta-Bromophenylmercapturic acid, S-(3-Bromophenyl)mercapturic acid, 3-Bromophenylmercapturic acid, L-Cysteine, N-acetyl-S-(3-bromophenyl)-
| 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 | 288.0 |
Chemical Identifiers
| CAS Number | 127780-16-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC1=CC(=CC=C1)Br)C(=O)O |
| InChIKey | OBKMKYALNXDNBZ-JTQLQIEISA-N |
Product Overview
S-(3-溴苯基)硫醚氨酸 (CAS 127780-16-9), with molecular formula C11H12BrNO3S and molecular weight 316.97 g/mol. IUPAC: (2R)-2-acetamido-3-(3-bromophenyl)sulfanylpropanoic acid.
Chemical Property Profile of S-(3-溴苯基)硫醚氨酸
Property Insights of S-(3-溴苯基)硫醚氨酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-溴苯基)硫醚氨酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-溴苯基)硫醚氨酸. Following Lipinski's Rule of Five, S-(3-溴苯基)硫醚氨酸 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 S-(3-溴苯基)硫醚氨酸?
The CAS number of S-(3-溴苯基)硫醚氨酸 is 127780-16-9.
What is the molecular formula of S-(3-溴苯基)硫醚氨酸?
The molecular formula of S-(3-溴苯基)硫醚氨酸 is C11H12BrNO3S.
What is the molecular weight of S-(3-溴苯基)硫醚氨酸?
The molecular weight of S-(3-溴苯基)硫醚氨酸 is 316.97 g/mol.
Where can I buy S-(3-溴苯基)硫醚氨酸?
You can request a quote for S-(3-溴苯基)硫醚氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-溴苯基)硫醚氨酸?
Yes, KEHONG BIO provides custom synthesis services for S-(3-溴苯基)硫醚氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.