cis-2,6-Dichlorocyclohexanone
TL;DR: cis-2,6-Dichlorocyclohexanone (CAS 10557-33-2) is a chemical compound with molecular formula C6H8Cl2O and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(2S,6R)-2,6-dichlorocyclohexan-1-one
Also Known As: cis-2,6-dichlorocyclohexanone, 2,6-dichlorocyclohexanone, (2R,6S)-2,6-dichlorocyclohexan-1-one
| Molecular Formula | C6H8Cl2O |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.99522 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 10557-33-2 |
|---|---|
| SMILES | C1C[C@H](C(=O)[C@H](C1)Cl)Cl |
| InChIKey | MNOLFQQEONPNAT-SYDPRGILSA-N |
Product Overview
cis-2,6-Dichlorocyclohexanone (CAS 10557-33-2), with molecular formula C6H8Cl2O and molecular weight 166.00 g/mol. IUPAC: cis-(2S,6R)-2,6-dichlorocyclohexan-1-one.
Chemical Property Profile of cis-2,6-Dichlorocyclohexanone
Property Insights of cis-2,6-Dichlorocyclohexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2,6-Dichlorocyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, cis-2,6-Dichlorocyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2,6-Dichlorocyclohexanone has 0 hydrogen bond donor(s) and 1 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 cis-2,6-Dichlorocyclohexanone?
The CAS number of cis-2,6-Dichlorocyclohexanone is 10557-33-2.
What is the molecular formula of cis-2,6-Dichlorocyclohexanone?
The molecular formula of cis-2,6-Dichlorocyclohexanone is C6H8Cl2O.
What is the molecular weight of cis-2,6-Dichlorocyclohexanone?
The molecular weight of cis-2,6-Dichlorocyclohexanone is 166.00 g/mol.
Where can I buy cis-2,6-Dichlorocyclohexanone?
You can request a quote for cis-2,6-Dichlorocyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2,6-Dichlorocyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for cis-2,6-Dichlorocyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.