Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate
TL;DR: Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate (CAS 327100-00-5) is a chemical compound with molecular formula C18H19F3N4O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate
Also Known As: ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate, ethyl 2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate, ethyl N-[(2-ethoxyphenyl)carbonyl]-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)alaninate
| Molecular Formula | C18H19F3N4O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.13583 |
| Heavy Atoms | 29 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 327100-00-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC(C(=O)OCC)(C(F)(F)F)NC2=NC=CC=N2 |
| InChIKey | XIHAMTJUWXQIBL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate (CAS 327100-00-5), with molecular formula C18H19F3N4O4 and molecular weight 412.14 g/mol. IUPAC: ethyl 2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate.
Chemical Property Profile of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate
Property Insights of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate
The XLogP value of 3.7 indicates that Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate has 2 hydrogen bond donor(s) and 10 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-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate?
The CAS number of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate is 327100-00-5.
What is the molecular formula of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate?
The molecular formula of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate is C18H19F3N4O4.
What is the molecular weight of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate?
The molecular weight of Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate is 412.14 g/mol.
Where can I buy Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate?
You can request a quote for Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-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-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-ethoxybenzamido)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.