![2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester structure](/static/products/1410/141046-77-7.webp)
2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester
TL;DR: 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester (CAS 141046-77-7) 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 2-(3,5-dichloroanilino)but-2-enedioate
Also Known As: Dimethyl 3,5-dichloroanilinomaleate, dimethyl 2-(3,5-dichloroanilino)but-2-enedioate, 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester
| Molecular Formula | C12H11Cl2NO4 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.0065 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 141046-77-7 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC(=CC(=C1)Cl)Cl |
| InChIKey | BIOBEAFZXLGZCM-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester (CAS 141046-77-7), with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol. IUPAC: dimethyl 2-(3,5-dichloroanilino)but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester
Property Insights of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester
The XLogP value of 3.8 indicates that 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester 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 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester?
The CAS number of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester is 141046-77-7.
What is the molecular formula of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester?
The molecular formula of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester is C12H11Cl2NO4.
What is the molecular weight of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester?
The molecular weight of 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester is 303.01 g/mol.
Where can I buy 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester?
You can request a quote for 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.