Diethyl 2,3-dichlorobutanedioate
TL;DR: Diethyl 2,3-dichlorobutanedioate (CAS 6698-46-0) is a chemical compound with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-dichlorobutanedioate
Also Known As: diethyl 2,3-dichlorobutanedioate, diethyl 2,3-dichlorosuccinate, diethyl dichlorosuccinate, Diethyl 2,3-dichloro succinate, 2,3-Dichlorosuccinic acid diethyl ester
| Molecular Formula | C8H12Cl2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.01126 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 6698-46-0 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)OCC)Cl)Cl |
| InChIKey | PBGMSGHICSEALQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,3-dichlorobutanedioate (CAS 6698-46-0), with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol. IUPAC: diethyl 2,3-dichlorobutanedioate.
Chemical Property Profile of Diethyl 2,3-dichlorobutanedioate
Property Insights of Diethyl 2,3-dichlorobutanedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,3-dichlorobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2,3-dichlorobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,3-dichlorobutanedioate 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 Diethyl 2,3-dichlorobutanedioate?
The CAS number of Diethyl 2,3-dichlorobutanedioate is 6698-46-0.
What is the molecular formula of Diethyl 2,3-dichlorobutanedioate?
The molecular formula of Diethyl 2,3-dichlorobutanedioate is C8H12Cl2O4.
What is the molecular weight of Diethyl 2,3-dichlorobutanedioate?
The molecular weight of Diethyl 2,3-dichlorobutanedioate is 242.01 g/mol.
Where can I buy Diethyl 2,3-dichlorobutanedioate?
You can request a quote for Diethyl 2,3-dichlorobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,3-dichlorobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-dichlorobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.