![methyl N-[(1-phenylethyl)carbamoyl]-L-valinate structure](/static/products/993/99335-40-7.png)
methyl N-[(1-phenylethyl)carbamoyl]-L-valinate
TL;DR: methyl N-[(1-phenylethyl)carbamoyl]-L-valinate (CAS 99335-40-7) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoate
Also Known As: methyl N-[(1-phenylethyl)carbamoyl]-L-valinate, (2S)-methyl 3-methyl-2-(3-(1-phenylethyl)ureido)butanoate, methyl (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoate
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.2444 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 445.69165 |
Chemical Identifiers
| CAS Number | 99335-40-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC(C)C1=CC=CC=C1 |
Product Overview
methyl N-[(1-phenylethyl)carbamoyl]-L-valinate (CAS 99335-40-7), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: methyl (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoate.
Chemical Property Profile of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate
Property Insights of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate
The XLogP value of 2.2444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(1-phenylethyl)carbamoyl]-L-valinate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(1-phenylethyl)carbamoyl]-L-valinate. Following Lipinski's Rule of Five, methyl N-[(1-phenylethyl)carbamoyl]-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-[(1-phenylethyl)carbamoyl]-L-valinate?
The CAS number of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate is 99335-40-7.
What is the molecular formula of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate?
The molecular formula of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate is C15H22N2O3.
What is the molecular weight of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate?
The molecular weight of methyl N-[(1-phenylethyl)carbamoyl]-L-valinate is 278.16 g/mol.
Where can I buy methyl N-[(1-phenylethyl)carbamoyl]-L-valinate?
You can request a quote for methyl N-[(1-phenylethyl)carbamoyl]-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-[(1-phenylethyl)carbamoyl]-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(1-phenylethyl)carbamoyl]-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.