Dimethyl 2-chloro-5-trifluoromethylanilino maleate
TL;DR: Dimethyl 2-chloro-5-trifluoromethylanilino maleate (CAS 1049152-35-3) is a chemical compound with molecular formula C13H11ClF3NO4 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-[2-chloro-5-(trifluoromethyl)anilino]but-2-enedioate
Also Known As: Dimethyl 2-chloro-5-trifluoromethylanilino maleate, dimethyl 2-((2-chloro-5-(trifluoromethyl)phenyl)amino)maleate, Dimethyl (2E)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-butenedioate #, dimethyl (2E)-2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}but-2-enedioate, dimethyl (E)-2-[2-chloro-5-(trifluoromethyl)anilino]but-2-enedioate
| Molecular Formula | C13H11ClF3NO4 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 3.0006 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.03287 |
| Heavy Atoms | 22 |
| Complexity | 613.793 |
Chemical Identifiers
| CAS Number | 1049152-35-3 |
|---|---|
| SMILES | COC(=O)/C=C(\C(=O)OC)/NC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
Dimethyl 2-chloro-5-trifluoromethylanilino maleate (CAS 1049152-35-3), with molecular formula C13H11ClF3NO4 and molecular weight 337.03 g/mol. IUPAC: dimethyl (E)-2-[2-chloro-5-(trifluoromethyl)anilino]but-2-enedioate.
Chemical Property Profile of Dimethyl 2-chloro-5-trifluoromethylanilino maleate
Property Insights of Dimethyl 2-chloro-5-trifluoromethylanilino maleate
The XLogP value of 3.0006 indicates that Dimethyl 2-chloro-5-trifluoromethylanilino maleate 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 Dimethyl 2-chloro-5-trifluoromethylanilino maleate. Following Lipinski's Rule of Five, Dimethyl 2-chloro-5-trifluoromethylanilino maleate has 1 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 Dimethyl 2-chloro-5-trifluoromethylanilino maleate?
The CAS number of Dimethyl 2-chloro-5-trifluoromethylanilino maleate is 1049152-35-3.
What is the molecular formula of Dimethyl 2-chloro-5-trifluoromethylanilino maleate?
The molecular formula of Dimethyl 2-chloro-5-trifluoromethylanilino maleate is C13H11ClF3NO4.
What is the molecular weight of Dimethyl 2-chloro-5-trifluoromethylanilino maleate?
The molecular weight of Dimethyl 2-chloro-5-trifluoromethylanilino maleate is 337.03 g/mol.
Where can I buy Dimethyl 2-chloro-5-trifluoromethylanilino maleate?
You can request a quote for Dimethyl 2-chloro-5-trifluoromethylanilino maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-chloro-5-trifluoromethylanilino maleate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chloro-5-trifluoromethylanilino maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.