3,3-Dichloro-2,2-dihydroxycyclohexan-1-one
TL;DR: 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one (CAS 83878-01-7) is a chemical compound with molecular formula C6H8Cl2O3 and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-2,2-dihydroxycyclohexan-1-one
Also Known As: 3-Methoxyacetaminophen, 3,3-Dichloro-2,2-Dihydroxycyclohexanone, 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one, EINECS 281-167-9, Cyclohexanone,3,3-dichloro-2,2-dihydroxy-
| Molecular Formula | C6H8Cl2O3 |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 0.5942 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.98505 |
| Heavy Atoms | 11 |
| Complexity | 188.26642 |
Chemical Identifiers
| CAS Number | 83878-01-7 |
|---|---|
| SMILES | C1CC(=O)C(C(C1)(Cl)Cl)(O)O |
Product Overview
3,3-Dichloro-2,2-dihydroxycyclohexan-1-one (CAS 83878-01-7), with molecular formula C6H8Cl2O3 and molecular weight 197.99 g/mol. IUPAC: 3,3-dichloro-2,2-dihydroxycyclohexan-1-one.
Chemical Property Profile of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one
Property Insights of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one
The XLogP value of 0.5942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one. With a topological polar surface area (TPSA) of 57.53 Ų, 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one has 2 hydrogen bond donor(s) and 3 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 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one?
The CAS number of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one is 83878-01-7.
What is the molecular formula of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one?
The molecular formula of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one is C6H8Cl2O3.
What is the molecular weight of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one?
The molecular weight of 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one is 197.99 g/mol.
Where can I buy 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one?
You can request a quote for 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloro-2,2-dihydroxycyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.