![ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate structure](/static/products/369/369604-94-4.png)
ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
TL;DR: ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate (CAS 369604-94-4) is a chemical compound with molecular formula C14H15Cl2F3N2O4 and molecular weight 402.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dichloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-((3,4-dichlorophenyl)amino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate, ethyl 2-(3,4-dichloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate, ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
| Molecular Formula | C14H15Cl2F3N2O4 |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | 3.9731 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0361 |
| Heavy Atoms | 25 |
| Complexity | 642.99316 |
Chemical Identifiers
| CAS Number | 369604-94-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)Cl)Cl)NC(=O)OCC |
Product Overview
ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate (CAS 369604-94-4), with molecular formula C14H15Cl2F3N2O4 and molecular weight 402.04 g/mol. IUPAC: ethyl 2-(3,4-dichloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
Property Insights of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
The XLogP value of 3.9731 indicates that ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate has 2 hydrogen bond donor(s) and 5 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-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The CAS number of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is 369604-94-4.
What is the molecular formula of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The molecular formula of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is C14H15Cl2F3N2O4.
What is the molecular weight of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The molecular weight of ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is 402.04 g/mol.
Where can I buy ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
You can request a quote for ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3,4-dichlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.