(1,1'-Bicyclohexyl)-4,4'-dione
TL;DR: (1,1'-Bicyclohexyl)-4,4'-dione (CAS 23504-31-6) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxocyclohexyl)cyclohexan-1-one
Also Known As: 4,4'-Bicyclohexanone, [1,1'-Bi(cyclohexane)]-4,4'-dione, 4,4-bicyclohexanone, 4,4'-Dioxobicyclohexyl, 4,4'-bicyclohexanedione
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 23504-31-6 |
|---|---|
| SMILES | C1CC(=O)CCC1C2CCC(=O)CC2 |
| InChIKey | OQIDYCVWAFZRTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Bicyclohexyl)-4,4'-dione (CAS 23504-31-6), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 4-(4-oxocyclohexyl)cyclohexan-1-one.
Chemical Property Profile of (1,1'-Bicyclohexyl)-4,4'-dione
Property Insights of (1,1'-Bicyclohexyl)-4,4'-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Bicyclohexyl)-4,4'-dione. With a topological polar surface area (TPSA) of 34.1 Ų, (1,1'-Bicyclohexyl)-4,4'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Bicyclohexyl)-4,4'-dione 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 (1,1'-Bicyclohexyl)-4,4'-dione?
The CAS number of (1,1'-Bicyclohexyl)-4,4'-dione is 23504-31-6.
What is the molecular formula of (1,1'-Bicyclohexyl)-4,4'-dione?
The molecular formula of (1,1'-Bicyclohexyl)-4,4'-dione is C12H18O2.
What is the molecular weight of (1,1'-Bicyclohexyl)-4,4'-dione?
The molecular weight of (1,1'-Bicyclohexyl)-4,4'-dione is 194.13 g/mol.
Where can I buy (1,1'-Bicyclohexyl)-4,4'-dione?
You can request a quote for (1,1'-Bicyclohexyl)-4,4'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Bicyclohexyl)-4,4'-dione?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Bicyclohexyl)-4,4'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.