Benzylideneacetone semicarbazone
TL;DR: Benzylideneacetone semicarbazone (CAS 5468-31-5) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenylbut-3-en-2-ylideneamino)urea
Also Known As: Benzylideneacetone semicarbazone, (4-phenylbut-3-en-2-ylideneamino)urea, Hydrazinecarboxamide,2-[(2E)-1-methyl-3-phenyl-2-propen-1-ylidene]-
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5468-31-5 |
|---|---|
| SMILES | CC(=NNC(=O)N)C=CC1=CC=CC=C1 |
| InChIKey | XEAXZEMHSLDEEG-UHFFFAOYSA-N |
Product Overview
Benzylideneacetone semicarbazone (CAS 5468-31-5), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: (4-phenylbut-3-en-2-ylideneamino)urea.
Chemical Property Profile of Benzylideneacetone semicarbazone
Property Insights of Benzylideneacetone semicarbazone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylideneacetone semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylideneacetone semicarbazone. Following Lipinski's Rule of Five, Benzylideneacetone 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 Benzylideneacetone semicarbazone?
The CAS number of Benzylideneacetone semicarbazone is 5468-31-5.
What is the molecular formula of Benzylideneacetone semicarbazone?
The molecular formula of Benzylideneacetone semicarbazone is C11H13N3O.
What is the molecular weight of Benzylideneacetone semicarbazone?
The molecular weight of Benzylideneacetone semicarbazone is 203.11 g/mol.
Where can I buy Benzylideneacetone semicarbazone?
You can request a quote for Benzylideneacetone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylideneacetone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Benzylideneacetone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.