ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate
TL;DR: ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate (CAS 298685-90-2) is a chemical compound with molecular formula C14H14F3N5O3 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3,3,3-trifluoro-2-(1,2,4-triazol-4-ylamino)propanoate
Also Known As: A2131/0089484, ethyl 2-benzamido-3,3,3-trifluoro-2-(1,2,4-triazol-4-ylamino)propanoate, ethyl 2-((4H-1,2,4-triazol-4-yl)amino)-2-benzamido-3,3,3-trifluoropropanoate, ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate, ethyl 3,3,3-trifluoro-N-(phenylcarbonyl)-2-(4H-1,2,4-triazol-4-ylamino)alaninate
| Molecular Formula | C14H14F3N5O3 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 1.0733 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.1049 |
| Heavy Atoms | 25 |
| Complexity | 721.0685 |
Chemical Identifiers
| CAS Number | 298685-90-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)NN2C=NN=C2 |
Product Overview
ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate (CAS 298685-90-2), with molecular formula C14H14F3N5O3 and molecular weight 357.10 g/mol. IUPAC: ethyl 2-benzamido-3,3,3-trifluoro-2-(1,2,4-triazol-4-ylamino)propanoate.
Chemical Property Profile of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate
Property Insights of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate
The XLogP value of 1.0733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate. Following Lipinski's Rule of Five, ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate has 2 hydrogen bond donor(s) and 6 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 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate?
The CAS number of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate is 298685-90-2.
What is the molecular formula of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate?
The molecular formula of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate is C14H14F3N5O3.
What is the molecular weight of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate?
The molecular weight of ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate is 357.10 g/mol.
Where can I buy ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate?
You can request a quote for ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4H-1,2,4-triazol-4-ylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.