3-Ethyl-3-buten-2-one semicarbazone
TL;DR: 3-Ethyl-3-buten-2-one semicarbazone (CAS 5648-02-2) is a chemical compound with molecular formula C7H13N3O and molecular weight 155.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylidenepentan-2-ylideneamino)urea
Also Known As: 3-Ethyl-3-buten-2-one semicarbazone, (3-methylidenepentan-2-ylideneamino)urea, 2-(3-Methylidenepentan-2-ylidene)hydrazine-1-carboxamide, RefChem:279166
| Molecular Formula | C7H13N3O |
|---|---|
| Molecular Weight | 155.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.10587 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 5648-02-2 |
|---|---|
| SMILES | CCC(=C)C(=NNC(=O)N)C |
| InChIKey | HCYVCCYHCJDOLJ-UHFFFAOYSA-N |
Product Overview
3-Ethyl-3-buten-2-one semicarbazone (CAS 5648-02-2), with molecular formula C7H13N3O and molecular weight 155.11 g/mol. IUPAC: (3-methylidenepentan-2-ylideneamino)urea.
Chemical Property Profile of 3-Ethyl-3-buten-2-one semicarbazone
Property Insights of 3-Ethyl-3-buten-2-one semicarbazone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-buten-2-one semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-3-buten-2-one semicarbazone. Following Lipinski's Rule of Five, 3-Ethyl-3-buten-2-one 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 3-Ethyl-3-buten-2-one semicarbazone?
The CAS number of 3-Ethyl-3-buten-2-one semicarbazone is 5648-02-2.
What is the molecular formula of 3-Ethyl-3-buten-2-one semicarbazone?
The molecular formula of 3-Ethyl-3-buten-2-one semicarbazone is C7H13N3O.
What is the molecular weight of 3-Ethyl-3-buten-2-one semicarbazone?
The molecular weight of 3-Ethyl-3-buten-2-one semicarbazone is 155.11 g/mol.
Where can I buy 3-Ethyl-3-buten-2-one semicarbazone?
You can request a quote for 3-Ethyl-3-buten-2-one semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-buten-2-one semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-buten-2-one semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.