4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide
TL;DR: 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide (CAS 941-70-8) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide
Also Known As: 4,4-dimethyl-2,6-dioxocyclohexanecarboxamide, 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide, 2-formyl-5,5-dimethyl-4-oxohexanamide, 2-CARBAMOYL-5,5-DIMETHYL-1,4-HEXANEDIONE, 4,4-Dimethyl-2,6-dioxo-cyclohexanecarboxamide
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 941-70-8 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=O)N)C |
| InChIKey | CXYHFBSJWRHKML-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide (CAS 941-70-8), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide.
Chemical Property Profile of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide
Property Insights of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide. Following Lipinski's Rule of Five, 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide has 1 hydrogen bond donor(s) and 3 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 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide?
The CAS number of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide is 941-70-8.
What is the molecular formula of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide?
The molecular formula of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide is C9H13NO3.
What is the molecular weight of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide?
The molecular weight of 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide is 183.09 g/mol.
Where can I buy 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide?
You can request a quote for 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2,6-dioxocyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.