S-Benzyl-L-penicillamine
TL;DR: S-Benzyl-L-penicillamine (CAS 54536-38-8) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid
Also Known As: S-Benzyl-L-penicillamine, S-Benzyl-penicillamin, NCIStruc1_000454, NCIStruc2_000565, (R)-2-amino-3-(benzylthio)-3-methylbutanoic acid
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 2.1103 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 351.2962 |
Chemical Identifiers
| CAS Number | 54536-38-8 |
|---|---|
| SMILES | CC(C)([C@@H](C(=O)O)N)SCC1=CC=CC=C1 |
Product Overview
S-Benzyl-L-penicillamine (CAS 54536-38-8), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: (2R)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid.
Chemical Property Profile of S-Benzyl-L-penicillamine
Property Insights of S-Benzyl-L-penicillamine
The XLogP value of 2.1103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Benzyl-L-penicillamine. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzyl-L-penicillamine. Following Lipinski's Rule of Five, S-Benzyl-L-penicillamine 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 S-Benzyl-L-penicillamine?
The CAS number of S-Benzyl-L-penicillamine is 54536-38-8.
What is the molecular formula of S-Benzyl-L-penicillamine?
The molecular formula of S-Benzyl-L-penicillamine is C12H17NO2S.
What is the molecular weight of S-Benzyl-L-penicillamine?
The molecular weight of S-Benzyl-L-penicillamine is 239.10 g/mol.
Where can I buy S-Benzyl-L-penicillamine?
You can request a quote for S-Benzyl-L-penicillamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl-L-penicillamine?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl-L-penicillamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.