1,3-Cyclohexanedione, 4,4-dimethyl-
TL;DR: 1,3-Cyclohexanedione, 4,4-dimethyl- (CAS 562-46-9) is a chemical compound with molecular formula CC1(CCC(=O)CC1=O)C and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylcyclohexane-1,3-dione
Also Known As: 4,4-Dimethyl-1,3-cyclohexanedione, 4,4-dimethylcyclohexane-1,3-dione, 1,3-Cyclohexanedione, 4,4-dimethyl-, 4,4-dimethyl-cyclohexane-1,3-dione, 44-Dimethyl-13-cyclohexanedione
| Molecular Formula | CC1(CCC(=O)CC1=O)C |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 562-46-9 |
|---|---|
| SMILES | CC1(CCC(=O)CC1=O)C |
| InChIKey | PLGPBTCNKJQJHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedione, 4,4-dimethyl- (CAS 562-46-9), with molecular formula CC1(CCC(=O)CC1=O)C and molecular weight 140.08 g/mol. IUPAC: 4,4-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 4,4-dimethyl-
Property Insights of 1,3-Cyclohexanedione, 4,4-dimethyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 4,4-dimethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione, 4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 4,4-dimethyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Cyclohexanedione, 4,4-dimethyl-?
The CAS number of 1,3-Cyclohexanedione, 4,4-dimethyl- is 562-46-9.
What is the molecular formula of 1,3-Cyclohexanedione, 4,4-dimethyl-?
The molecular formula of 1,3-Cyclohexanedione, 4,4-dimethyl- is CC1(CCC(=O)CC1=O)C.
What is the molecular weight of 1,3-Cyclohexanedione, 4,4-dimethyl-?
The molecular weight of 1,3-Cyclohexanedione, 4,4-dimethyl- is 140.08 g/mol.
Where can I buy 1,3-Cyclohexanedione, 4,4-dimethyl-?
You can request a quote for 1,3-Cyclohexanedione, 4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.