cis-3,7-Dimethyl-2,6-octadienal semicarbazone
TL;DR: cis-3,7-Dimethyl-2,6-octadienal semicarbazone (CAS 5348-52-7) is a chemical compound with molecular formula C11H19N3O and molecular weight 209.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,7-dimethylocta-2,6-dienylideneamino)urea
Also Known As: 3,7-dimethyl-octa-2,6-dienal semicarbazone, (3,7-dimethylocta-2,6-dienylideneamino)urea, cis-3,7-Dimethyl-2,6-octadienal semicarbazone, [(3,7-dimethylocta-2,6-dien-1-ylidene)amino]urea, 2-(3,7-dimethylocta-2,6-dien-1-ylidene)hydrazinecarboxamide
| Molecular Formula | C11H19N3O |
|---|---|
| Molecular Weight | 209.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.15282 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5348-52-7 |
|---|---|
| SMILES | CC(=CCCC(=CC=NNC(=O)N)C)C |
| InChIKey | DFUBHHCXMSXSFT-UHFFFAOYSA-N |
Product Overview
cis-3,7-Dimethyl-2,6-octadienal semicarbazone (CAS 5348-52-7), with molecular formula C11H19N3O and molecular weight 209.15 g/mol. IUPAC: (3,7-dimethylocta-2,6-dienylideneamino)urea.
Chemical Property Profile of cis-3,7-Dimethyl-2,6-octadienal semicarbazone
Property Insights of cis-3,7-Dimethyl-2,6-octadienal semicarbazone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3,7-Dimethyl-2,6-octadienal semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-3,7-Dimethyl-2,6-octadienal semicarbazone. Following Lipinski's Rule of Five, cis-3,7-Dimethyl-2,6-octadienal 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 cis-3,7-Dimethyl-2,6-octadienal semicarbazone?
The CAS number of cis-3,7-Dimethyl-2,6-octadienal semicarbazone is 5348-52-7.
What is the molecular formula of cis-3,7-Dimethyl-2,6-octadienal semicarbazone?
The molecular formula of cis-3,7-Dimethyl-2,6-octadienal semicarbazone is C11H19N3O.
What is the molecular weight of cis-3,7-Dimethyl-2,6-octadienal semicarbazone?
The molecular weight of cis-3,7-Dimethyl-2,6-octadienal semicarbazone is 209.15 g/mol.
Where can I buy cis-3,7-Dimethyl-2,6-octadienal semicarbazone?
You can request a quote for cis-3,7-Dimethyl-2,6-octadienal semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3,7-Dimethyl-2,6-octadienal semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for cis-3,7-Dimethyl-2,6-octadienal semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.