N-acetyl-3-mercapto-DL-valine
TL;DR: N-acetyl-3-mercapto-DL-valine (CAS 59-53-0) is a chemical compound with molecular formula C7H13NO3S and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-methyl-3-sulfanylbutanoic acid
Also Known As: N-Acetyl-dl-penicillamine, N-Acetylpenicillamine, Acetylpenicillamine, 2-acetamido-3-methyl-3-sulfanylbutanoic acid, N-Acetyl-3-mercaptovaline
| Molecular Formula | C7H13NO3S |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.06161 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 59-53-0 |
|---|---|
| SMILES | CC(=O)NC(C(=O)O)C(C)(C)S |
| InChIKey | MNNBCKASUFBXCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-acetyl-3-mercapto-DL-valine (CAS 59-53-0), with molecular formula C7H13NO3S and molecular weight 191.06 g/mol. IUPAC: 2-acetamido-3-methyl-3-sulfanylbutanoic acid.
Chemical Property Profile of N-acetyl-3-mercapto-DL-valine
Property Insights of N-acetyl-3-mercapto-DL-valine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-3-mercapto-DL-valine. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-3-mercapto-DL-valine. Following Lipinski's Rule of Five, N-acetyl-3-mercapto-DL-valine has 3 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-3-mercapto-DL-valine?
The CAS number of N-acetyl-3-mercapto-DL-valine is 59-53-0.
What is the molecular formula of N-acetyl-3-mercapto-DL-valine?
The molecular formula of N-acetyl-3-mercapto-DL-valine is C7H13NO3S.
What is the molecular weight of N-acetyl-3-mercapto-DL-valine?
The molecular weight of N-acetyl-3-mercapto-DL-valine is 191.06 g/mol.
Where can I buy N-acetyl-3-mercapto-DL-valine?
You can request a quote for N-acetyl-3-mercapto-DL-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-3-mercapto-DL-valine?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-3-mercapto-DL-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.