Butylmethylketone semicarbazone
TL;DR: Butylmethylketone semicarbazone (CAS 3622-64-8) is a chemical compound with molecular formula C7H15N3O and molecular weight 157.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(hexan-2-ylideneamino)urea
Also Known As: 2-Hexanone, semicarbazone, (hexan-2-ylideneamino)urea, butylmethylketone semicarbazone, [(hexan-2-ylidene)amino]urea
| Molecular Formula | C7H15N3O |
|---|---|
| Molecular Weight | 157.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.1215 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 3622-64-8 |
|---|---|
| SMILES | CCCCC(=NNC(=O)N)C |
| InChIKey | HWOZJMWUVWDNOO-UHFFFAOYSA-N |
Product Overview
Butylmethylketone semicarbazone (CAS 3622-64-8), with molecular formula C7H15N3O and molecular weight 157.12 g/mol. IUPAC: (hexan-2-ylideneamino)urea.
Chemical Property Profile of Butylmethylketone semicarbazone
Property Insights of Butylmethylketone semicarbazone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylmethylketone semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butylmethylketone semicarbazone. Following Lipinski's Rule of Five, Butylmethylketone 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 Butylmethylketone semicarbazone?
The CAS number of Butylmethylketone semicarbazone is 3622-64-8.
What is the molecular formula of Butylmethylketone semicarbazone?
The molecular formula of Butylmethylketone semicarbazone is C7H15N3O.
What is the molecular weight of Butylmethylketone semicarbazone?
The molecular weight of Butylmethylketone semicarbazone is 157.12 g/mol.
Where can I buy Butylmethylketone semicarbazone?
You can request a quote for Butylmethylketone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylmethylketone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Butylmethylketone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.