Dimethyl 2-(4-chloroanilino)but-2-enedioate
TL;DR: Dimethyl 2-(4-chloroanilino)but-2-enedioate (CAS 87748-34-3) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-chloroanilino)but-2-enedioate
Also Known As: dimethyl 2-(4-chloroanilino)but-2-enedioate, dimethyl 2-((4-chlorophenyl)amino)but-2-enedioate
| Molecular Formula | C12H12ClNO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 1.9818 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.04547 |
| Heavy Atoms | 18 |
| Complexity | 467.47067 |
Chemical Identifiers
| CAS Number | 87748-34-3 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC=C(C=C1)Cl |
Product Overview
Dimethyl 2-(4-chloroanilino)but-2-enedioate (CAS 87748-34-3), with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol. IUPAC: dimethyl 2-(4-chloroanilino)but-2-enedioate.
Chemical Property Profile of Dimethyl 2-(4-chloroanilino)but-2-enedioate
Property Insights of Dimethyl 2-(4-chloroanilino)but-2-enedioate
The XLogP value of 1.9818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-chloroanilino)but-2-enedioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4-chloroanilino)but-2-enedioate. Following Lipinski's Rule of Five, Dimethyl 2-(4-chloroanilino)but-2-enedioate 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-(4-chloroanilino)but-2-enedioate?
The CAS number of Dimethyl 2-(4-chloroanilino)but-2-enedioate is 87748-34-3.
What is the molecular formula of Dimethyl 2-(4-chloroanilino)but-2-enedioate?
The molecular formula of Dimethyl 2-(4-chloroanilino)but-2-enedioate is C12H12ClNO4.
What is the molecular weight of Dimethyl 2-(4-chloroanilino)but-2-enedioate?
The molecular weight of Dimethyl 2-(4-chloroanilino)but-2-enedioate is 269.05 g/mol.
Where can I buy Dimethyl 2-(4-chloroanilino)but-2-enedioate?
You can request a quote for Dimethyl 2-(4-chloroanilino)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4-chloroanilino)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-chloroanilino)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.