Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate (CAS 900279-95-0) is a chemical compound with molecular formula C15H17F3N2O3 and molecular weight 330.12 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-(prop-2-enylamino)propanoate
Also Known As: ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate, ethyl 2-benzamido-3,3,3-trifluoro-2-(prop-2-enylamino)propanoate, ethyl 3,3,3-trifluoro-N-(phenylcarbonyl)-2-(prop-2-en-1-ylamino)alaninate
| Molecular Formula | C15H17F3N2O3 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.11914 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 900279-95-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCC=C)NC(=O)C1=CC=CC=C1 |
| InChIKey | VCAYZSRXODIMPV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate (CAS 900279-95-0), with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol. IUPAC: ethyl 2-benzamido-3,3,3-trifluoro-2-(prop-2-enylamino)propanoate.
Chemical Property Profile of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate has 2 hydrogen bond donor(s) and 7 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-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate is 900279-95-0.
What is the molecular formula of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate is C15H17F3N2O3.
What is the molecular weight of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate is 330.12 g/mol.
Where can I buy Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(allylamino)-2-benzamido-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.