![methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate structure](/static/products/117/1173675-53-0.png)
methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate
TL;DR: methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate (CAS 1173675-53-0) is a chemical compound with molecular formula C14H17F3N2O4 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoate
Also Known As: methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate, (R)-methyl 3-methyl-2-(3-(4-(trifluoromethoxy)phenyl)ureido)butanoate, methyl (2R)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoate
| Molecular Formula | C14H17F3N2O4 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.9043 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.11404 |
| Heavy Atoms | 23 |
| Complexity | 543.9485 |
Chemical Identifiers
| CAS Number | 1173675-53-0 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)OC(F)(F)F |
Product Overview
methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate (CAS 1173675-53-0), with molecular formula C14H17F3N2O4 and molecular weight 334.11 g/mol. IUPAC: methyl (2R)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoate.
Chemical Property Profile of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate
Property Insights of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate
The XLogP value of 2.9043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate. Following Lipinski's Rule of Five, methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate has 2 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-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate?
The CAS number of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate is 1173675-53-0.
What is the molecular formula of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate?
The molecular formula of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate is C14H17F3N2O4.
What is the molecular weight of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate?
The molecular weight of methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate is 334.11 g/mol.
Where can I buy methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate?
You can request a quote for methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-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-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.