![methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate structure](/static/products/117/1173675-86-9.png)
methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate
TL;DR: methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate (CAS 1173675-86-9) is a chemical compound with molecular formula C14H17F3N2O3 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate
Also Known As: methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate, (S)-methyl 3-methyl-2-(3-(2-(trifluoromethyl)phenyl)ureido)butanoate, methyl (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate
| Molecular Formula | C14H17F3N2O3 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 3.0245 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.11914 |
| Heavy Atoms | 22 |
| Complexity | 544.37976 |
Chemical Identifiers
| CAS Number | 1173675-86-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC=C1C(F)(F)F |
Product Overview
methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate (CAS 1173675-86-9), with molecular formula C14H17F3N2O3 and molecular weight 318.12 g/mol. IUPAC: methyl (2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoate.
Chemical Property Profile of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate
Property Insights of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate
The XLogP value of 3.0245 indicates that methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate. Following Lipinski's Rule of Five, methyl N-{[2-(trifluoromethyl)phenyl]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-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate?
The CAS number of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate is 1173675-86-9.
What is the molecular formula of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate?
The molecular formula of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate is C14H17F3N2O3.
What is the molecular weight of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate?
The molecular weight of methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate is 318.12 g/mol.
Where can I buy methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate?
You can request a quote for methyl N-{[2-(trifluoromethyl)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-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.