Methyl N-(phenoxycarbonyl)-L-valinate
TL;DR: Methyl N-(phenoxycarbonyl)-L-valinate (CAS 153441-77-1) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-(phenoxycarbonylamino)butanoate
Also Known As: N-(Phenoxycarbonyl)-L-valine methyl ester, N-(Phenyloxycarbonyl)-L-valine methyl ester, methyl n-(phenoxycarbonyl)-l-valinate, Phenyloxycarbonyl-valine methyl ester, 2-Hydroxy-3-methyl-butyronitril
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 153441-77-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)OC1=CC=CC=C1 |
| InChIKey | HVZNBHBPOHUKAF-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-(phenoxycarbonyl)-L-valinate (CAS 153441-77-1), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: methyl (2S)-3-methyl-2-(phenoxycarbonylamino)butanoate.
Chemical Property Profile of Methyl N-(phenoxycarbonyl)-L-valinate
Property Insights of Methyl N-(phenoxycarbonyl)-L-valinate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(phenoxycarbonyl)-L-valinate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(phenoxycarbonyl)-L-valinate. Following Lipinski's Rule of Five, Methyl N-(phenoxycarbonyl)-L-valinate has 1 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 Methyl N-(phenoxycarbonyl)-L-valinate?
The CAS number of Methyl N-(phenoxycarbonyl)-L-valinate is 153441-77-1.
What is the molecular formula of Methyl N-(phenoxycarbonyl)-L-valinate?
The molecular formula of Methyl N-(phenoxycarbonyl)-L-valinate is C13H17NO4.
What is the molecular weight of Methyl N-(phenoxycarbonyl)-L-valinate?
The molecular weight of Methyl N-(phenoxycarbonyl)-L-valinate is 251.12 g/mol.
Where can I buy Methyl N-(phenoxycarbonyl)-L-valinate?
You can request a quote for Methyl N-(phenoxycarbonyl)-L-valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(phenoxycarbonyl)-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(phenoxycarbonyl)-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.