Dimethyl 3,5-dichloroanilinomaleate
TL;DR: Dimethyl 3,5-dichloroanilinomaleate (CAS 20866-70-0) is a chemical compound with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-(3,5-dichloroanilino)but-2-enedioate
Also Known As: Dimethyl 3,5-dichloroanilinomaleate, Dimethyl-(3,5-dichlor-anilino)-fumarat, dimethyl 2-((3,5-dichlorophenyl)amino)fumarate, dimethyl (Z)-2-(3,5-dichloroanilino)but-2-enedioate, Dimethyl (2Z)-2-(3,5-dichloroanilino)-2-butenedioate #
| Molecular Formula | C12H11Cl2NO4 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 2.6352 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0065 |
| Heavy Atoms | 19 |
| Complexity | 508.21072 |
Chemical Identifiers
| CAS Number | 20866-70-0 |
|---|---|
| SMILES | COC(=O)/C=C(/C(=O)OC)\NC1=CC(=CC(=C1)Cl)Cl |
Product Overview
Dimethyl 3,5-dichloroanilinomaleate (CAS 20866-70-0), with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol. IUPAC: dimethyl (Z)-2-(3,5-dichloroanilino)but-2-enedioate.
Chemical Property Profile of Dimethyl 3,5-dichloroanilinomaleate
Property Insights of Dimethyl 3,5-dichloroanilinomaleate
The XLogP value of 2.6352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,5-dichloroanilinomaleate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,5-dichloroanilinomaleate. Following Lipinski's Rule of Five, Dimethyl 3,5-dichloroanilinomaleate 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 3,5-dichloroanilinomaleate?
The CAS number of Dimethyl 3,5-dichloroanilinomaleate is 20866-70-0.
What is the molecular formula of Dimethyl 3,5-dichloroanilinomaleate?
The molecular formula of Dimethyl 3,5-dichloroanilinomaleate is C12H11Cl2NO4.
What is the molecular weight of Dimethyl 3,5-dichloroanilinomaleate?
The molecular weight of Dimethyl 3,5-dichloroanilinomaleate is 303.01 g/mol.
Where can I buy Dimethyl 3,5-dichloroanilinomaleate?
You can request a quote for Dimethyl 3,5-dichloroanilinomaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,5-dichloroanilinomaleate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,5-dichloroanilinomaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.