Cyclohexanedione monophenylhydrazone
TL;DR: Cyclohexanedione monophenylhydrazone (CAS 1687-48-5) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylhydrazinylidene)cyclohexan-1-one
Also Known As: cyclohexanedione monophenylhydrazone, 2-(phenylhydrazinylidene)cyclohexan-1-one, Cyclohexane-2,3-dione monophenylhydrazone, 1,2-Cyclohexanedione,1-(2-phenylhydrazone), 1,2-Cyclohexanedione, 1-(2-phenylhydrazone)
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1687-48-5 |
|---|---|
| SMILES | C1CCC(=O)C(=NNC2=CC=CC=C2)C1 |
| InChIKey | JKGRWIYJFZVNFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanedione monophenylhydrazone (CAS 1687-48-5), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 2-(phenylhydrazinylidene)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanedione monophenylhydrazone
Property Insights of Cyclohexanedione monophenylhydrazone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanedione monophenylhydrazone. With a topological polar surface area (TPSA) of 41.5 Ų, Cyclohexanedione monophenylhydrazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanedione monophenylhydrazone has 1 hydrogen bond donor(s) and 3 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 Cyclohexanedione monophenylhydrazone?
The CAS number of Cyclohexanedione monophenylhydrazone is 1687-48-5.
What is the molecular formula of Cyclohexanedione monophenylhydrazone?
The molecular formula of Cyclohexanedione monophenylhydrazone is C12H14N2O.
What is the molecular weight of Cyclohexanedione monophenylhydrazone?
The molecular weight of Cyclohexanedione monophenylhydrazone is 202.11 g/mol.
Where can I buy Cyclohexanedione monophenylhydrazone?
You can request a quote for Cyclohexanedione monophenylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanedione monophenylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanedione monophenylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.