Dimethyl 3-oxoglutarate
TL;DR: Dimethyl 3-oxoglutarate (CAS 1830-54-2) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-oxopentanedioate
Also Known As: Dimethyl 3-oxopentanedioate, Dimethyl 1,3-acetonedicarboxylate, Dimethyl 3-oxoglutarate, Dimethyl acetone-1,3-dicarboxylate, Dimethyl-3-oxoglutarate
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1830-54-2 |
|---|---|
| SMILES | COC(=O)CC(=O)CC(=O)OC |
| InChIKey | RNJOKCPFLQMDEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 3-oxoglutarate (CAS 1830-54-2), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: dimethyl 3-oxopentanedioate.
Chemical Property Profile of Dimethyl 3-oxoglutarate
Property Insights of Dimethyl 3-oxoglutarate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-oxoglutarate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-oxoglutarate. Following Lipinski's Rule of Five, Dimethyl 3-oxoglutarate 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 3-oxoglutarate?
The CAS number of Dimethyl 3-oxoglutarate is 1830-54-2.
What is the molecular formula of Dimethyl 3-oxoglutarate?
The molecular formula of Dimethyl 3-oxoglutarate is C7H10O5.
What is the molecular weight of Dimethyl 3-oxoglutarate?
The molecular weight of Dimethyl 3-oxoglutarate is 174.05 g/mol.
Where can I buy Dimethyl 3-oxoglutarate?
You can request a quote for Dimethyl 3-oxoglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-oxoglutarate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-oxoglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.