Dimethyl 2-chloro-3-oxohexanedioate
TL;DR: Dimethyl 2-chloro-3-oxohexanedioate (CAS 6330-55-8) is a chemical compound with molecular formula C8H11ClO5 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chloro-3-oxohexanedioate
Also Known As: dimethyl 2-chloro-3-oxohexanedioate, DIMETHYL 2-CHLORO-3-OXO-HEXANEDIOATE, Hexanedioic acid, 2-chloro-3-oxo-, 1,6-dimethyl ester
| Molecular Formula | C8H11ClO5 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.0295 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6330-55-8 |
|---|---|
| SMILES | COC(=O)CCC(=O)C(C(=O)OC)Cl |
| InChIKey | JVFHWJAJRDCZQI-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-chloro-3-oxohexanedioate (CAS 6330-55-8), with molecular formula C8H11ClO5 and molecular weight 222.03 g/mol. IUPAC: dimethyl 2-chloro-3-oxohexanedioate.
Chemical Property Profile of Dimethyl 2-chloro-3-oxohexanedioate
Property Insights of Dimethyl 2-chloro-3-oxohexanedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-chloro-3-oxohexanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-chloro-3-oxohexanedioate. Following Lipinski's Rule of Five, Dimethyl 2-chloro-3-oxohexanedioate has 0 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-chloro-3-oxohexanedioate?
The CAS number of Dimethyl 2-chloro-3-oxohexanedioate is 6330-55-8.
What is the molecular formula of Dimethyl 2-chloro-3-oxohexanedioate?
The molecular formula of Dimethyl 2-chloro-3-oxohexanedioate is C8H11ClO5.
What is the molecular weight of Dimethyl 2-chloro-3-oxohexanedioate?
The molecular weight of Dimethyl 2-chloro-3-oxohexanedioate is 222.03 g/mol.
Where can I buy Dimethyl 2-chloro-3-oxohexanedioate?
You can request a quote for Dimethyl 2-chloro-3-oxohexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-chloro-3-oxohexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chloro-3-oxohexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.