2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-
TL;DR: 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- (CAS 68141-97-9) is a chemical compound with molecular formula C12H8ClNO and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: Isopropylhydrazine sulphate, 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-, 4-(4-chlorophenyl)iminocyclohexa-2,5-dien-1-one, N-(4-Chlorophenyl)-1,4-benzoquinone monoimine, 4-[(4-Chlorophenyl)imino]cyclohexa-2,5-dien-1-one
| Molecular Formula | C12H8ClNO |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.02943 |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 68141-97-9 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=CC=C(C=C2)Cl |
| InChIKey | WVFLMXSWOBOILY-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- (CAS 68141-97-9), with molecular formula C12H8ClNO and molecular weight 217.03 g/mol. IUPAC: 4-(4-chlorophenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-
Property Insights of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-. With a topological polar surface area (TPSA) of 29.4 Ų, 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- 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-((4-chlorophenyl)imino)-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- is 68141-97-9.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- is C12H8ClNO.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- is 217.03 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- 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-((4-chlorophenyl)imino)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-((4-chlorophenyl)imino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.