ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
TL;DR: ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate (CAS 355156-37-5) is a chemical compound with molecular formula C17H22ClF3N2O3 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloro-2-methylanilino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate
Also Known As: ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate, ethyl 2-(3-chloro-2-methylanilino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate, ethyl N-(3-chloro-2-methylphenyl)-3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]alaninate
| Molecular Formula | C17H22ClF3N2O3 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 4.04432 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1271 |
| Heavy Atoms | 26 |
| Complexity | 665.14343 |
Chemical Identifiers
| CAS Number | 355156-37-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C(=CC=C1)Cl)C)NC(=O)CC(C)C |
Product Overview
ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate (CAS 355156-37-5), with molecular formula C17H22ClF3N2O3 and molecular weight 394.13 g/mol. IUPAC: ethyl 2-(3-chloro-2-methylanilino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate.
Chemical Property Profile of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
Property Insights of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
The XLogP value of 4.04432 indicates that ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate. Following Lipinski's Rule of Five, ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate has 2 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-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
The CAS number of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is 355156-37-5.
What is the molecular formula of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
The molecular formula of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is C17H22ClF3N2O3.
What is the molecular weight of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
The molecular weight of ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is 394.13 g/mol.
Where can I buy ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
You can request a quote for ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)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-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((3-chloro-2-methylphenyl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.