Dimethyl 2-chlorobutanedioate
TL;DR: Dimethyl 2-chlorobutanedioate (CAS 20662-72-0) is a chemical compound with molecular formula C6H9ClO4 and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chlorobutanedioate
Also Known As: Dimethyl 2-chlorobutanedioate, dimethyl 2-chlorosuccinate, methyl chlorosuccinate, Succinic acid, chloro-, dimethyl ester, Butanedioicacid,chloro-,dimethylester
| Molecular Formula | C6H9ClO4 |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.01894 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 20662-72-0 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)Cl |
| InChIKey | YFAYPUHAMBJFRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-chlorobutanedioate (CAS 20662-72-0), with molecular formula C6H9ClO4 and molecular weight 180.02 g/mol. IUPAC: dimethyl 2-chlorobutanedioate.
Chemical Property Profile of Dimethyl 2-chlorobutanedioate
Property Insights of Dimethyl 2-chlorobutanedioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-chlorobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-chlorobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-chlorobutanedioate 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-chlorobutanedioate?
The CAS number of Dimethyl 2-chlorobutanedioate is 20662-72-0.
What is the molecular formula of Dimethyl 2-chlorobutanedioate?
The molecular formula of Dimethyl 2-chlorobutanedioate is C6H9ClO4.
What is the molecular weight of Dimethyl 2-chlorobutanedioate?
The molecular weight of Dimethyl 2-chlorobutanedioate is 180.02 g/mol.
Where can I buy Dimethyl 2-chlorobutanedioate?
You can request a quote for Dimethyl 2-chlorobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-chlorobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chlorobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.