Hexyl methyl ketone semicarbazone
TL;DR: Hexyl methyl ketone semicarbazone (CAS 3622-69-3) is a chemical compound with molecular formula C9H19N3O and molecular weight 185.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(octan-2-ylideneamino)urea
Also Known As: Methyl hexyl ketone semicarbazone, (octan-2-ylideneamino)urea, hexyl methyl ketone semicarbazone, [(Z)-octan-2-ylideneamino]urea, 2-(1-Methylheptylidene)hydrazinecarboxamide
| Molecular Formula | C9H19N3O |
|---|---|
| Molecular Weight | 185.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.15282 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 3622-69-3 |
|---|---|
| SMILES | CCCCCCC(=NNC(=O)N)C |
| InChIKey | COGNJHDCPSNYEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl methyl ketone semicarbazone (CAS 3622-69-3), with molecular formula C9H19N3O and molecular weight 185.15 g/mol. IUPAC: (octan-2-ylideneamino)urea.
Chemical Property Profile of Hexyl methyl ketone semicarbazone
Property Insights of Hexyl methyl ketone semicarbazone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl methyl ketone semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl methyl ketone semicarbazone. Following Lipinski's Rule of Five, Hexyl methyl ketone 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 Hexyl methyl ketone semicarbazone?
The CAS number of Hexyl methyl ketone semicarbazone is 3622-69-3.
What is the molecular formula of Hexyl methyl ketone semicarbazone?
The molecular formula of Hexyl methyl ketone semicarbazone is C9H19N3O.
What is the molecular weight of Hexyl methyl ketone semicarbazone?
The molecular weight of Hexyl methyl ketone semicarbazone is 185.15 g/mol.
Where can I buy Hexyl methyl ketone semicarbazone?
You can request a quote for Hexyl methyl ketone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl methyl ketone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Hexyl methyl ketone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.