Penicillamine methyl ester
TL;DR: Penicillamine methyl ester (CAS 29913-83-5) is a chemical compound with molecular formula C6H13NO2S and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate
Also Known As: Penicillamine methyl ester, N-phenyl-2-pyrroline, L-penicillamine methyl ester, Methyl 3-sulfanylvalinate, methyl 3-sulfanyl-L-valinate
| Molecular Formula | C6H13NO2S |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.0667 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 29913-83-5 |
|---|---|
| SMILES | CC(C)([C@@H](C(=O)OC)N)S |
| InChIKey | FIXGPNLTDAUQQF-SCSAIBSYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillamine methyl ester (CAS 29913-83-5), with molecular formula C6H13NO2S and molecular weight 163.07 g/mol. IUPAC: methyl (2R)-2-amino-3-methyl-3-sulfanylbutanoate.
Chemical Property Profile of Penicillamine methyl ester
Property Insights of Penicillamine methyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillamine methyl ester. With a topological polar surface area (TPSA) of 53.3 Ų, Penicillamine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penicillamine methyl ester 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 Penicillamine methyl ester?
The CAS number of Penicillamine methyl ester is 29913-83-5.
What is the molecular formula of Penicillamine methyl ester?
The molecular formula of Penicillamine methyl ester is C6H13NO2S.
What is the molecular weight of Penicillamine methyl ester?
The molecular weight of Penicillamine methyl ester is 163.07 g/mol.
Where can I buy Penicillamine methyl ester?
You can request a quote for Penicillamine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillamine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Penicillamine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.