![ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate structure](/static/products/498/498570-56-2.png)
ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate
TL;DR: ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate (CAS 498570-56-2) is a chemical compound with molecular formula C19H18F3N3O4 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-carbamoylphenyl)carbamoylamino]-3,3,3-trifluoro-2-phenylpropanoate
Also Known As: ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate, (S)-ethyl 2-(3-(4-carbamoylphenyl)ureido)-3,3,3-trifluoro-2-phenylpropanoate, 2-[3-(4-Carbamoyl-phenyl)-ureido]-3,3,3-trifluoro-2-phenyl-propionic acid ethyl ester, ethyl 2-[(4-carbamoylphenyl)carbamoylamino]-3,3,3-trifluoro-2-phenylpropanoate
| Molecular Formula | C19H18F3N3O4 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 2.9279 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.12494 |
| Heavy Atoms | 29 |
| Complexity | 885.8224 |
Chemical Identifiers
| CAS Number | 498570-56-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(=O)N |
Product Overview
ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate (CAS 498570-56-2), with molecular formula C19H18F3N3O4 and molecular weight 409.12 g/mol. IUPAC: ethyl 2-[(4-carbamoylphenyl)carbamoylamino]-3,3,3-trifluoro-2-phenylpropanoate.
Chemical Property Profile of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate
Property Insights of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate
The XLogP value of 2.9279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate. Following Lipinski's Rule of Five, ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate 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 ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate?
The CAS number of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate is 498570-56-2.
What is the molecular formula of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate?
The molecular formula of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate is C19H18F3N3O4.
What is the molecular weight of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate?
The molecular weight of ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate is 409.12 g/mol.
Where can I buy ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate?
You can request a quote for ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(4-carbamoylphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.