Crotonaldehyde, semicarbazone
TL;DR: Crotonaldehyde, semicarbazone (CAS 5316-14-3) is a chemical compound with molecular formula C5H9N3O and molecular weight 127.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[(E)-but-2-enylidene]amino]urea
Also Known As: Crotonaldehyde semicarbazone, 2-Butenalsemicarbazone, Crotonaldehyde, semicarbazone, Crotonaldehydesemicarbazone, 1-(2-Butenylidene)semicarbazide
| Molecular Formula | C5H9N3O |
|---|---|
| Molecular Weight | 127.07 g/mol |
| LogP | 0.2166 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.07456 |
| Heavy Atoms | 9 |
| Complexity | 139.13853 |
Chemical Identifiers
| CAS Number | 5316-14-3 |
|---|---|
| SMILES | C/C=C/C=N/NC(=O)N |
Product Overview
Crotonaldehyde, semicarbazone (CAS 5316-14-3), with molecular formula C5H9N3O and molecular weight 127.07 g/mol. IUPAC: [(E)-[(E)-but-2-enylidene]amino]urea.
Chemical Property Profile of Crotonaldehyde, semicarbazone
Property Insights of Crotonaldehyde, semicarbazone
The XLogP value of 0.2166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonaldehyde, semicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonaldehyde, semicarbazone. Following Lipinski's Rule of Five, Crotonaldehyde, 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 Crotonaldehyde, semicarbazone?
The CAS number of Crotonaldehyde, semicarbazone is 5316-14-3.
What is the molecular formula of Crotonaldehyde, semicarbazone?
The molecular formula of Crotonaldehyde, semicarbazone is C5H9N3O.
What is the molecular weight of Crotonaldehyde, semicarbazone?
The molecular weight of Crotonaldehyde, semicarbazone is 127.07 g/mol.
Where can I buy Crotonaldehyde, semicarbazone?
You can request a quote for Crotonaldehyde, semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonaldehyde, semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Crotonaldehyde, semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.