2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione (CAS 75552-46-4) is a chemical compound with molecular formula C12H7ClO2 and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione, MixCom6_001815, 2-(3-chlorophenyl)-1,4-benzoquinone, 2-(3-Chlorophenyl)-p-benzoquinone, 2-(3'-chlorophenyl)-1,4-benzoquinone
| Molecular Formula | C12H7ClO2 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.01346 |
| Heavy Atoms | 15 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 75552-46-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CC(=O)C=CC2=O |
| InChIKey | RFASLPNXDILHEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione (CAS 75552-46-4), with molecular formula C12H7ClO2 and molecular weight 218.01 g/mol. IUPAC: 2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-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 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione is 75552-46-4.
What is the molecular formula of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione is C12H7ClO2.
What is the molecular weight of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione is 218.01 g/mol.
Where can I buy 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.