![methyl-[(E)-2-methylbut-2-enyl][?]one structure](/static/products/126/126233-99-6.png)
methyl-[(E)-2-methylbut-2-enyl][?]one
TL;DR: methyl-[(E)-2-methylbut-2-enyl][?]one (CAS 126233-99-6) is a chemical compound with molecular formula C16H21N3O and molecular weight 271.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-[(E)-2-methylbut-2-enyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl-[(E)-2-methylbut-2-enyl][?]one, 11-methyl-10-[(2E)-2-methylbut-2-en-1-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one, 4,5,6,7-Tetrahydro-5-methyl-6-[(E)-2-methyl-2-butenyl]imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 6-(E-3-Methyl-2-buten-4-yl)-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, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-butenyl)-, (E)-
| Molecular Formula | C16H21N3O |
|---|---|
| Molecular Weight | 271.17 g/mol |
| LogP | 2.4999 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.16846 |
| Heavy Atoms | 20 |
| Complexity | 722.88745 |
Chemical Identifiers
| CAS Number | 126233-99-6 |
|---|---|
| SMILES | C/C=C(\C)/CN1CC2=C3C(=CC=C2)NC(=O)N3CC1C |
Product Overview
methyl-[(E)-2-methylbut-2-enyl][?]one (CAS 126233-99-6), with molecular formula C16H21N3O and molecular weight 271.17 g/mol. IUPAC: 11-methyl-10-[(E)-2-methylbut-2-enyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of methyl-[(E)-2-methylbut-2-enyl][?]one
Property Insights of methyl-[(E)-2-methylbut-2-enyl][?]one
The XLogP value of 2.4999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl-[(E)-2-methylbut-2-enyl][?]one. With a topological polar surface area (TPSA) of 41.03 Ų, methyl-[(E)-2-methylbut-2-enyl][?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl-[(E)-2-methylbut-2-enyl][?]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 methyl-[(E)-2-methylbut-2-enyl][?]one?
The CAS number of methyl-[(E)-2-methylbut-2-enyl][?]one is 126233-99-6.
What is the molecular formula of methyl-[(E)-2-methylbut-2-enyl][?]one?
The molecular formula of methyl-[(E)-2-methylbut-2-enyl][?]one is C16H21N3O.
What is the molecular weight of methyl-[(E)-2-methylbut-2-enyl][?]one?
The molecular weight of methyl-[(E)-2-methylbut-2-enyl][?]one is 271.17 g/mol.
Where can I buy methyl-[(E)-2-methylbut-2-enyl][?]one?
You can request a quote for methyl-[(E)-2-methylbut-2-enyl][?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-[(E)-2-methylbut-2-enyl][?]one?
Yes, KEHONG BIO provides custom synthesis services for methyl-[(E)-2-methylbut-2-enyl][?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.