Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate (CAS 327097-74-5) is a chemical compound with molecular formula C19H16F5NO4 and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,6-difluorobenzoyl)amino]-3,3,3-trifluoro-2-phenylmethoxypropanoate
Also Known As: ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate, ethyl 2-(benzyloxy)-N-[(2,6-difluorophenyl)carbonyl]-3,3,3-trifluoroalaninate, Ethyl 2-[(2,6-difluorobenzoyl)amino]-3,3,3-trifluoro-2-phenylmethoxy-propanoate, ethyl 2-[(2,6-difluorobenzoyl)amino]-3,3,3-trifluoro-2-phenylmethoxypropanoate
| Molecular Formula | C19H16F5NO4 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 3.7331 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.09995 |
| Heavy Atoms | 29 |
| Complexity | 852.3984 |
Chemical Identifiers
| CAS Number | 327097-74-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=C(C=CC=C1F)F)OCC2=CC=CC=C2 |
Product Overview
Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate (CAS 327097-74-5), with molecular formula C19H16F5NO4 and molecular weight 417.10 g/mol. IUPAC: ethyl 2-[(2,6-difluorobenzoyl)amino]-3,3,3-trifluoro-2-phenylmethoxypropanoate.
Chemical Property Profile of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate
The XLogP value of 3.7331 indicates that Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate has 1 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 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate is 327097-74-5.
What is the molecular formula of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate is C19H16F5NO4.
What is the molecular weight of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate is 417.10 g/mol.
Where can I buy Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-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-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzyloxy)-2-(2,6-difluorobenzamido)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.