1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one
TL;DR: 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one (CAS 114253-96-2) is a chemical compound with molecular formula C18H28Cl2O and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(1-chlorocyclohexyl)cyclohexan-1-one
Also Known As: 2,6-bis(1-chlorocyclohexyl)cyclohexan-1-one, 1,1''-dichloro-1,1':3',1''-ter(cyclohexan)-2'-one, 1,1''-dichloro-[1,1':3',1''-tercyclohexan]-2'-one
| Molecular Formula | C18H28Cl2O |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 5.8552 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.15173 |
| Heavy Atoms | 21 |
| Complexity | 346.67957 |
Chemical Identifiers
| CAS Number | 114253-96-2 |
|---|---|
| SMILES | C1CCC(CC1)(C2CCCC(C2=O)C3(CCCCC3)Cl)Cl |
Product Overview
1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one (CAS 114253-96-2), with molecular formula C18H28Cl2O and molecular weight 330.15 g/mol. IUPAC: 2,6-bis(1-chlorocyclohexyl)cyclohexan-1-one.
Chemical Property Profile of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one
Property Insights of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one
The XLogP value of 5.8552 indicates that 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one?
The CAS number of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one is 114253-96-2.
What is the molecular formula of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one?
The molecular formula of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one is C18H28Cl2O.
What is the molecular weight of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one?
The molecular weight of 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one is 330.15 g/mol.
Where can I buy 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one?
You can request a quote for 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1''-Dichloro-1,1':3',1''-ter(cyclohexan)-2'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.