methyl N-acetylvalinate
TL;DR: methyl N-acetylvalinate (CAS 1492-12-2) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-methylbutanoate
Also Known As: methyl N-acetylvalinate, methyl 2-acetamido-3-methylbutanoate, Methyl acetyl-D-valinate, Methyl N-acetyl-L-valinate, DL-Valine, methyl ester
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 1492-12-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C |
| InChIKey | KCHNPFJMSOGXIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N-acetylvalinate (CAS 1492-12-2), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: methyl 2-acetamido-3-methylbutanoate.
Chemical Property Profile of methyl N-acetylvalinate
Property Insights of methyl N-acetylvalinate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-acetylvalinate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-acetylvalinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-acetylvalinate has 1 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 methyl N-acetylvalinate?
The CAS number of methyl N-acetylvalinate is 1492-12-2.
What is the molecular formula of methyl N-acetylvalinate?
The molecular formula of methyl N-acetylvalinate is C8H15NO3.
What is the molecular weight of methyl N-acetylvalinate?
The molecular weight of methyl N-acetylvalinate is 173.11 g/mol.
Where can I buy methyl N-acetylvalinate?
You can request a quote for methyl N-acetylvalinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-acetylvalinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-acetylvalinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.