methyl N-(benzylcarbamoyl)-L-valinate
TL;DR: methyl N-(benzylcarbamoyl)-L-valinate (CAS 125675-59-4) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
Also Known As: methyl N-(benzylcarbamoyl)-L-valinate, AB01330732-02, (S)-methyl 2-(3-benzylureido)-3-methylbutanoate, methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate, (S)-2-(3-Benzylureido)-3-methylbutanoic acid methyl ester
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 1.6834 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 417.95908 |
Chemical Identifiers
| CAS Number | 125675-59-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC=CC=C1 |
Product Overview
methyl N-(benzylcarbamoyl)-L-valinate (CAS 125675-59-4), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate.
Chemical Property Profile of methyl N-(benzylcarbamoyl)-L-valinate
Property Insights of methyl N-(benzylcarbamoyl)-L-valinate
The XLogP value of 1.6834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(benzylcarbamoyl)-L-valinate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(benzylcarbamoyl)-L-valinate. Following Lipinski's Rule of Five, methyl N-(benzylcarbamoyl)-L-valinate has 2 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-(benzylcarbamoyl)-L-valinate?
The CAS number of methyl N-(benzylcarbamoyl)-L-valinate is 125675-59-4.
What is the molecular formula of methyl N-(benzylcarbamoyl)-L-valinate?
The molecular formula of methyl N-(benzylcarbamoyl)-L-valinate is C14H20N2O3.
What is the molecular weight of methyl N-(benzylcarbamoyl)-L-valinate?
The molecular weight of methyl N-(benzylcarbamoyl)-L-valinate is 264.15 g/mol.
Where can I buy methyl N-(benzylcarbamoyl)-L-valinate?
You can request a quote for methyl N-(benzylcarbamoyl)-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-(benzylcarbamoyl)-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(benzylcarbamoyl)-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.