4-Heptanone, semicarbazone
TL;DR: 4-Heptanone, semicarbazone (CAS 3622-68-2) 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-4-ylideneamino)urea
Also Known As: 4-Heptanone, semicarbazone, 4-Heptanone semicarbazone, (heptan-4-ylideneamino)urea, 4-Semicarbazono-heptan, 4-Heptanonesemicarbazone
| Molecular Formula | C8H17N3O |
|---|---|
| Molecular Weight | 171.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.13716 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 3622-68-2 |
|---|---|
| SMILES | CCCC(=NNC(=O)N)CCC |
| InChIKey | RXOSBDKCDBATQI-UHFFFAOYSA-N |
Product Overview
4-Heptanone, semicarbazone (CAS 3622-68-2), with molecular formula C8H17N3O and molecular weight 171.14 g/mol. IUPAC: (heptan-4-ylideneamino)urea.
Chemical Property Profile of 4-Heptanone, semicarbazone
Property Insights of 4-Heptanone, semicarbazone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptanone, semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Heptanone, semicarbazone. Following Lipinski's Rule of Five, 4-Heptanone, 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 4-Heptanone, semicarbazone?
The CAS number of 4-Heptanone, semicarbazone is 3622-68-2.
What is the molecular formula of 4-Heptanone, semicarbazone?
The molecular formula of 4-Heptanone, semicarbazone is C8H17N3O.
What is the molecular weight of 4-Heptanone, semicarbazone?
The molecular weight of 4-Heptanone, semicarbazone is 171.14 g/mol.
Where can I buy 4-Heptanone, semicarbazone?
You can request a quote for 4-Heptanone, semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanone, semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanone, semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.