![isobutyl(methyl)[?]one structure](/static/products/1262/126262-72-4.webp)
isobutyl(methyl)[?]one
TL;DR: isobutyl(methyl)[?]one (CAS 126262-72-4) is a chemical compound with molecular formula C15H21N3O and molecular weight 259.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-(2-methylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: isobutyl(methyl)[?]one, 6-benzyloxy-1-hexen-3-ol, 6-(2-Methylpropyl)-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-methylpropyl)-, 5-Methyl-6-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
| Molecular Formula | C15H21N3O |
|---|---|
| Molecular Weight | 259.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.16846 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 126262-72-4 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC(C)C)C=CC=C3NC2=O |
| InChIKey | BBQFLZBMPBVODN-UHFFFAOYSA-N |
Product Overview
isobutyl(methyl)[?]one (CAS 126262-72-4), with molecular formula C15H21N3O and molecular weight 259.17 g/mol. IUPAC: 11-methyl-10-(2-methylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of isobutyl(methyl)[?]one
Property Insights of isobutyl(methyl)[?]one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyl(methyl)[?]one. With a topological polar surface area (TPSA) of 35.6 Ų, isobutyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isobutyl(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 isobutyl(methyl)[?]one?
The CAS number of isobutyl(methyl)[?]one is 126262-72-4.
What is the molecular formula of isobutyl(methyl)[?]one?
The molecular formula of isobutyl(methyl)[?]one is C15H21N3O.
What is the molecular weight of isobutyl(methyl)[?]one?
The molecular weight of isobutyl(methyl)[?]one is 259.17 g/mol.
Where can I buy isobutyl(methyl)[?]one?
You can request a quote for isobutyl(methyl)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl(methyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for isobutyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.