o-Chloranil
TL;DR: o-Chloranil (CAS 2435-53-2) is a chemical compound with molecular formula C6Cl4O2 and molecular weight 243.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
Also Known As: o-Chloranil, Tetrachloro-O-benzoquinone, Isochloranil, 2-Chloranil, o-Chloroanil
| Molecular Formula | C6Cl4O2 |
|---|---|
| Molecular Weight | 243.87 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.86229 |
| Heavy Atoms | 12 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 2435-53-2 |
|---|---|
| SMILES | C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)Cl |
| InChIKey | VRGCYEIGVVTZCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chloranil (CAS 2435-53-2), with molecular formula C6Cl4O2 and molecular weight 243.87 g/mol. IUPAC: 3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of o-Chloranil
Property Insights of o-Chloranil
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chloranil. With a topological polar surface area (TPSA) of 34.1 Ų, o-Chloranil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chloranil 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 o-Chloranil?
The CAS number of o-Chloranil is 2435-53-2.
What is the molecular formula of o-Chloranil?
The molecular formula of o-Chloranil is C6Cl4O2.
What is the molecular weight of o-Chloranil?
The molecular weight of o-Chloranil is 243.87 g/mol.
Where can I buy o-Chloranil?
You can request a quote for o-Chloranil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chloranil?
Yes, KEHONG BIO provides custom synthesis services for o-Chloranil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.