![methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate structure](/static/products/117/1173685-46-5.png)
methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate
TL;DR: methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate (CAS 1173685-46-5) is a chemical compound with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoate
Also Known As: methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate, (S)-methyl 2-(3-(3-acetamidophenyl)ureido)-3-methylbutanoate, methyl (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoate
| Molecular Formula | C15H21N3O4 |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 1.9641 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1532 |
| Heavy Atoms | 22 |
| Complexity | 557.47345 |
Chemical Identifiers
| CAS Number | 1173685-46-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)NC(=O)C |
Product Overview
methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate (CAS 1173685-46-5), with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol. IUPAC: methyl (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoate.
Chemical Property Profile of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate
Property Insights of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate
The XLogP value of 1.9641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate. Following Lipinski's Rule of Five, methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate 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 methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate?
The CAS number of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate is 1173685-46-5.
What is the molecular formula of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate?
The molecular formula of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate is C15H21N3O4.
What is the molecular weight of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate?
The molecular weight of methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate is 307.15 g/mol.
Where can I buy methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate?
You can request a quote for methyl N-{[3-(acetylamino)phenyl]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-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[3-(acetylamino)phenyl]carbamoyl}-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.