Dimethyl 2-chloro-3-oxopentanedioate
TL;DR: Dimethyl 2-chloro-3-oxopentanedioate (CAS 56417-64-2) is a chemical compound with molecular formula C7H9ClO5 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chloro-3-oxopentanedioate
Also Known As: dimethyl 2-chloro-3-oxopentanedioate
| Molecular Formula | C7H9ClO5 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.01385 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 56417-64-2 |
|---|---|
| SMILES | COC(=O)CC(=O)C(C(=O)OC)Cl |
| InChIKey | KMWRXWZCNKWYSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-chloro-3-oxopentanedioate (CAS 56417-64-2), with molecular formula C7H9ClO5 and molecular weight 208.01 g/mol. IUPAC: dimethyl 2-chloro-3-oxopentanedioate.
Chemical Property Profile of Dimethyl 2-chloro-3-oxopentanedioate
Property Insights of Dimethyl 2-chloro-3-oxopentanedioate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-chloro-3-oxopentanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-chloro-3-oxopentanedioate. Following Lipinski's Rule of Five, Dimethyl 2-chloro-3-oxopentanedioate 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-oxopentanedioate?
The CAS number of Dimethyl 2-chloro-3-oxopentanedioate is 56417-64-2.
What is the molecular formula of Dimethyl 2-chloro-3-oxopentanedioate?
The molecular formula of Dimethyl 2-chloro-3-oxopentanedioate is C7H9ClO5.
What is the molecular weight of Dimethyl 2-chloro-3-oxopentanedioate?
The molecular weight of Dimethyl 2-chloro-3-oxopentanedioate is 208.01 g/mol.
Where can I buy Dimethyl 2-chloro-3-oxopentanedioate?
You can request a quote for Dimethyl 2-chloro-3-oxopentanedioate 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-oxopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chloro-3-oxopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.