Ethyl-n-butylketone semicarbazone
TL;DR: Ethyl-n-butylketone semicarbazone (CAS 3622-67-1) is a chemical compound with molecular formula C8H17N3O and molecular weight 171.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(heptan-3-ylideneamino)urea
Also Known As: heptan-3-one semicarbazone, (heptan-3-ylideneamino)urea, ethyl-n-butylketone semicarbazone
| Molecular Formula | C8H17N3O |
|---|---|
| Molecular Weight | 171.14 g/mol |
| LogP | 1.6109 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.13716 |
| Heavy Atoms | 12 |
| Complexity | 165.68591 |
Chemical Identifiers
| CAS Number | 3622-67-1 |
|---|---|
| SMILES | CCCCC(=NNC(=O)N)CC |
Product Overview
Ethyl-n-butylketone semicarbazone (CAS 3622-67-1), with molecular formula C8H17N3O and molecular weight 171.14 g/mol. IUPAC: (heptan-3-ylideneamino)urea.
Chemical Property Profile of Ethyl-n-butylketone semicarbazone
Property Insights of Ethyl-n-butylketone semicarbazone
The XLogP value of 1.6109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-n-butylketone semicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-n-butylketone semicarbazone. Following Lipinski's Rule of Five, Ethyl-n-butylketone 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 Ethyl-n-butylketone semicarbazone?
The CAS number of Ethyl-n-butylketone semicarbazone is 3622-67-1.
What is the molecular formula of Ethyl-n-butylketone semicarbazone?
The molecular formula of Ethyl-n-butylketone semicarbazone is C8H17N3O.
What is the molecular weight of Ethyl-n-butylketone semicarbazone?
The molecular weight of Ethyl-n-butylketone semicarbazone is 171.14 g/mol.
Where can I buy Ethyl-n-butylketone semicarbazone?
You can request a quote for Ethyl-n-butylketone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-n-butylketone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-n-butylketone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.