2-Methyl cyclohexanone semicarbazone
TL;DR: 2-Methyl cyclohexanone semicarbazone (CAS 4549-20-6) is a chemical compound with molecular formula C8H15N3O and molecular weight 169.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-methylcyclohexylidene)amino]urea
Also Known As: 2-methyl cyclohexanone semicarbazone, [(2-methylcyclohexylidene)amino]urea, [(Z)-(2-methylcyclohexylidene)amino]urea, 2-(2-methylcyclohexylidene)hydrazinecarboxamide
| Molecular Formula | C8H15N3O |
|---|---|
| Molecular Weight | 169.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.1215 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 4549-20-6 |
|---|---|
| SMILES | CC1CCCCC1=NNC(=O)N |
| InChIKey | ZOMWHULATAXVJE-UHFFFAOYSA-N |
Product Overview
2-Methyl cyclohexanone semicarbazone (CAS 4549-20-6), with molecular formula C8H15N3O and molecular weight 169.12 g/mol. IUPAC: [(2-methylcyclohexylidene)amino]urea.
Chemical Property Profile of 2-Methyl cyclohexanone semicarbazone
Property Insights of 2-Methyl cyclohexanone semicarbazone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl cyclohexanone semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl cyclohexanone semicarbazone. Following Lipinski's Rule of Five, 2-Methyl cyclohexanone semicarbazone has 2 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-Methyl cyclohexanone semicarbazone?
The CAS number of 2-Methyl cyclohexanone semicarbazone is 4549-20-6.
What is the molecular formula of 2-Methyl cyclohexanone semicarbazone?
The molecular formula of 2-Methyl cyclohexanone semicarbazone is C8H15N3O.
What is the molecular weight of 2-Methyl cyclohexanone semicarbazone?
The molecular weight of 2-Methyl cyclohexanone semicarbazone is 169.12 g/mol.
Where can I buy 2-Methyl cyclohexanone semicarbazone?
You can request a quote for 2-Methyl cyclohexanone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl cyclohexanone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl cyclohexanone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.