![but-3-enyl(methyl)[?]one structure](/static/products/1262/126233-95-2.webp)
but-3-enyl(methyl)[?]one
TL;DR: but-3-enyl(methyl)[?]one (CAS 126233-95-2) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-but-3-enyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: but-3-enyl(methyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 6-(3-butenyl)-4,5,6,7-tetrahydro-5-methyl-, 6-(4-Butenyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 6-(3-butenyl)-4,5,6,7-tetrahydro-5-methyl-, 4,5,6,7-Tetrahydro-5-methyl-6-(3-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 126233-95-2 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CCC=C)C=CC=C3NC2=O |
| InChIKey | SREQSGSHJKJLFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
but-3-enyl(methyl)[?]one (CAS 126233-95-2), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 10-but-3-enyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of but-3-enyl(methyl)[?]one
Property Insights of but-3-enyl(methyl)[?]one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-3-enyl(methyl)[?]one. With a topological polar surface area (TPSA) of 35.6 Ų, but-3-enyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, but-3-enyl(methyl)[?]one has 1 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 but-3-enyl(methyl)[?]one?
The CAS number of but-3-enyl(methyl)[?]one is 126233-95-2.
What is the molecular formula of but-3-enyl(methyl)[?]one?
The molecular formula of but-3-enyl(methyl)[?]one is C15H19N3O.
What is the molecular weight of but-3-enyl(methyl)[?]one?
The molecular weight of but-3-enyl(methyl)[?]one is 257.15 g/mol.
Where can I buy but-3-enyl(methyl)[?]one?
You can request a quote for but-3-enyl(methyl)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-3-enyl(methyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for but-3-enyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.