Dimethyl 4-oxoheptanedioate
TL;DR: Dimethyl 4-oxoheptanedioate (CAS 22773-18-8) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-oxoheptanedioate
Also Known As: Dimethyl 4-oxoheptanedioate, dimethyl 4-oxoheptadioate, Dimethyl 4-oxoheptanedioate #, Dimethyl 4-oxoheptane-1,7-dioate, 4-Oxopimelic acid dimethyl ester
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 22773-18-8 |
|---|---|
| SMILES | COC(=O)CCC(=O)CCC(=O)OC |
| InChIKey | IUDRJCMDRZEFGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4-oxoheptanedioate (CAS 22773-18-8), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: dimethyl 4-oxoheptanedioate.
Chemical Property Profile of Dimethyl 4-oxoheptanedioate
Property Insights of Dimethyl 4-oxoheptanedioate
The XLogP value of -0.1 indicates that Dimethyl 4-oxoheptanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-oxoheptanedioate. Following Lipinski's Rule of Five, Dimethyl 4-oxoheptanedioate 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 4-oxoheptanedioate?
The CAS number of Dimethyl 4-oxoheptanedioate is 22773-18-8.
What is the molecular formula of Dimethyl 4-oxoheptanedioate?
The molecular formula of Dimethyl 4-oxoheptanedioate is C9H14O5.
What is the molecular weight of Dimethyl 4-oxoheptanedioate?
The molecular weight of Dimethyl 4-oxoheptanedioate is 202.08 g/mol.
Where can I buy Dimethyl 4-oxoheptanedioate?
You can request a quote for Dimethyl 4-oxoheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-oxoheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-oxoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.