S-Benzyl-D-penicillamine
TL;DR: S-Benzyl-D-penicillamine (CAS 54536-37-7) 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.
(2S)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid
Also Known As: S-Benzyl-D-penicillamine, 3-(benzylthio)valine, D-Pen(Bzl)-OH, H-D-Pen(Bzl)-OH, S-Benzyl-L-penicillamine
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 54536-37-7 |
|---|---|
| SMILES | CC(C)([C@H](C(=O)O)N)SCC1=CC=CC=C1 |
| InChIKey | YPZAXRYHYTVHPA-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Benzyl-D-penicillamine (CAS 54536-37-7), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: (2S)-2-amino-3-benzylsulfanyl-3-methylbutanoic acid.
Chemical Property Profile of S-Benzyl-D-penicillamine
Property Insights of S-Benzyl-D-penicillamine
The XLogP value of -0.6 indicates that S-Benzyl-D-penicillamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzyl-D-penicillamine. Following Lipinski's Rule of Five, S-Benzyl-D-penicillamine 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-Benzyl-D-penicillamine?
The CAS number of S-Benzyl-D-penicillamine is 54536-37-7.
What is the molecular formula of S-Benzyl-D-penicillamine?
The molecular formula of S-Benzyl-D-penicillamine is C12H17NO2S.
What is the molecular weight of S-Benzyl-D-penicillamine?
The molecular weight of S-Benzyl-D-penicillamine is 239.10 g/mol.
Where can I buy S-Benzyl-D-penicillamine?
You can request a quote for S-Benzyl-D-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-D-penicillamine?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl-D-penicillamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.