3-Methylcyclohexanone semicarbazone
TL;DR: 3-Methylcyclohexanone semicarbazone (CAS 54410-86-5) 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.
[(3-methylcyclohexylidene)amino]urea
Also Known As: 3-Methylcyclohexanone semicarbazone, [(3-methylcyclohexylidene)amino]urea, [(Z)-(3-methylcyclohexylidene)amino]urea, 2-(3-methylcyclohexylidene)hydrazinecarboxamide
| Molecular Formula | C8H15N3O |
|---|---|
| Molecular Weight | 169.12 g/mol |
| LogP | 0.6 |
| 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 | 54410-86-5 |
|---|---|
| SMILES | CC1CCCC(=NNC(=O)N)C1 |
| InChIKey | QNMXLUDDFKFNMU-UHFFFAOYSA-N |
Product Overview
3-Methylcyclohexanone semicarbazone (CAS 54410-86-5), with molecular formula C8H15N3O and molecular weight 169.12 g/mol. IUPAC: [(3-methylcyclohexylidene)amino]urea.
Chemical Property Profile of 3-Methylcyclohexanone semicarbazone
Property Insights of 3-Methylcyclohexanone semicarbazone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcyclohexanone semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylcyclohexanone semicarbazone. Following Lipinski's Rule of Five, 3-Methylcyclohexanone 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 3-Methylcyclohexanone semicarbazone?
The CAS number of 3-Methylcyclohexanone semicarbazone is 54410-86-5.
What is the molecular formula of 3-Methylcyclohexanone semicarbazone?
The molecular formula of 3-Methylcyclohexanone semicarbazone is C8H15N3O.
What is the molecular weight of 3-Methylcyclohexanone semicarbazone?
The molecular weight of 3-Methylcyclohexanone semicarbazone is 169.12 g/mol.
Where can I buy 3-Methylcyclohexanone semicarbazone?
You can request a quote for 3-Methylcyclohexanone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcyclohexanone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcyclohexanone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.