2,2'-Methylenebis(1,3-cyclohexanedione)
TL;DR: 2,2'-Methylenebis(1,3-cyclohexanedione) (CAS 54135-60-3) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
Also Known As: Apoptosis Inhibitor, 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione, 2,2'-METHYLENEBIS(1,3-CYCLOHEXANEDIONE), 2,2'-Methylenebis(cyclohexane-1,3-dione), EINECS 258-989-1
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.2531 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 314.8807 |
Chemical Identifiers
| CAS Number | 54135-60-3 |
|---|---|
| SMILES | C1CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O |
Product Overview
2,2'-Methylenebis(1,3-cyclohexanedione) (CAS 54135-60-3), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione.
Chemical Property Profile of 2,2'-Methylenebis(1,3-cyclohexanedione)
Property Insights of 2,2'-Methylenebis(1,3-cyclohexanedione)
The XLogP value of 1.2531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Methylenebis(1,3-cyclohexanedione). The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Methylenebis(1,3-cyclohexanedione). Following Lipinski's Rule of Five, 2,2'-Methylenebis(1,3-cyclohexanedione) has 0 hydrogen bond donor(s) and 4 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 2,2'-Methylenebis(1,3-cyclohexanedione)?
The CAS number of 2,2'-Methylenebis(1,3-cyclohexanedione) is 54135-60-3.
What is the molecular formula of 2,2'-Methylenebis(1,3-cyclohexanedione)?
The molecular formula of 2,2'-Methylenebis(1,3-cyclohexanedione) is C13H16O4.
What is the molecular weight of 2,2'-Methylenebis(1,3-cyclohexanedione)?
The molecular weight of 2,2'-Methylenebis(1,3-cyclohexanedione) is 236.10 g/mol.
Where can I buy 2,2'-Methylenebis(1,3-cyclohexanedione)?
You can request a quote for 2,2'-Methylenebis(1,3-cyclohexanedione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Methylenebis(1,3-cyclohexanedione)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Methylenebis(1,3-cyclohexanedione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.