2,5-Cyclohexadien-1-one, 4-(chloroimino)-
TL;DR: 2,5-Cyclohexadien-1-one, 4-(chloroimino)- (CAS 637-61-6) is a chemical compound with molecular formula C6H4ClNO and molecular weight 141.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloroiminocyclohexa-2,5-dien-1-one
Also Known As: N-Chloro-p-benzoquinoneimine, Quinone chlorimide, N-Chloro-p-quinone imine, Benzoquinone chlorimine, p-Quinone-4-chloroimide
| Molecular Formula | C6H4ClNO |
|---|---|
| Molecular Weight | 141.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.99814 |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 637-61-6 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NCl |
| InChIKey | ITUYMTWJWYTELW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadien-1-one, 4-(chloroimino)- (CAS 637-61-6), with molecular formula C6H4ClNO and molecular weight 141.00 g/mol. IUPAC: 4-chloroiminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-(chloroimino)-
Property Insights of 2,5-Cyclohexadien-1-one, 4-(chloroimino)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-(chloroimino)-. With a topological polar surface area (TPSA) of 29.4 Ų, 2,5-Cyclohexadien-1-one, 4-(chloroimino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-(chloroimino)- 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 2,5-Cyclohexadien-1-one, 4-(chloroimino)-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-(chloroimino)- is 637-61-6.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-(chloroimino)-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-(chloroimino)- is C6H4ClNO.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-(chloroimino)-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-(chloroimino)- is 141.00 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-(chloroimino)-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-(chloroimino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4-(chloroimino)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-(chloroimino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.