4,5-Dichlorocyclohexa-3,5-diene-1,2-dione
TL;DR: 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione (CAS 18268-81-0) is a chemical compound with molecular formula C6H2Cl2O2 and molecular weight 175.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichlorocyclohexa-3,5-diene-1,2-dione
Also Known As: 4,5-Dichloro-1,2-benzoquinone, 4.5-Dichlor-o-chinon, 4,5-dichlorocyclohexa-3,5-diene-1,2-dione, o-Benzoquinone, 4,5-dichloro-, 3,4-dichlorocyclohexa-2,4-diene-1,6-dione
| Molecular Formula | C6H2Cl2O2 |
|---|---|
| Molecular Weight | 175.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.94319 |
| Heavy Atoms | 10 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 18268-81-0 |
|---|---|
| SMILES | C1=C(C(=CC(=O)C1=O)Cl)Cl |
| InChIKey | WJJYKBSURRIBRY-UHFFFAOYSA-N |
Product Overview
4,5-Dichlorocyclohexa-3,5-diene-1,2-dione (CAS 18268-81-0), with molecular formula C6H2Cl2O2 and molecular weight 175.94 g/mol. IUPAC: 4,5-dichlorocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione
Property Insights of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione 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 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione?
The CAS number of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione is 18268-81-0.
What is the molecular formula of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione is C6H2Cl2O2.
What is the molecular weight of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione is 175.94 g/mol.
Where can I buy 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.