Dimethyl 2,3-dichloromaleate
TL;DR: Dimethyl 2,3-dichloromaleate (CAS 1114-23-4) is a chemical compound with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2,3-dichlorobut-2-enedioate
Also Known As: dimethyl dichloromaleate, dimethyl 2,3-dichloromaleate, Dimethyl 2,3-dichlorobutenedioate, AI3-04633, dimethyl (Z)-2,3-dichlorobut-2-enedioate
| Molecular Formula | C6H6Cl2O4 |
|---|---|
| Molecular Weight | 211.96 g/mol |
| LogP | 1.0216 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.96431 |
| Heavy Atoms | 12 |
| Complexity | 209.70259 |
Chemical Identifiers
| CAS Number | 1114-23-4 |
|---|---|
| SMILES | COC(=O)/C(=C(\C(=O)OC)/Cl)/Cl |
Product Overview
Dimethyl 2,3-dichloromaleate (CAS 1114-23-4), with molecular formula C6H6Cl2O4 and molecular weight 211.96 g/mol. IUPAC: dimethyl (Z)-2,3-dichlorobut-2-enedioate.
Chemical Property Profile of Dimethyl 2,3-dichloromaleate
Property Insights of Dimethyl 2,3-dichloromaleate
The XLogP value of 1.0216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,3-dichloromaleate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,3-dichloromaleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,3-dichloromaleate has 0 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 Dimethyl 2,3-dichloromaleate?
The CAS number of Dimethyl 2,3-dichloromaleate is 1114-23-4.
What is the molecular formula of Dimethyl 2,3-dichloromaleate?
The molecular formula of Dimethyl 2,3-dichloromaleate is C6H6Cl2O4.
What is the molecular weight of Dimethyl 2,3-dichloromaleate?
The molecular weight of Dimethyl 2,3-dichloromaleate is 211.96 g/mol.
Where can I buy Dimethyl 2,3-dichloromaleate?
You can request a quote for Dimethyl 2,3-dichloromaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,3-dichloromaleate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,3-dichloromaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.