![dimethyl(3-methylbut-2-enyl)[?]one structure](/static/products/2578/257891-53-5.webp)
dimethyl(3-methylbut-2-enyl)[?]one
TL;DR: dimethyl(3-methylbut-2-enyl)[?]one (CAS 257891-53-5) is a chemical compound with molecular formula C17H23N3O and molecular weight 285.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dimethyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Also Known As: dimethyl(3-methylbut-2-enyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-methyl-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-, 5,8-Dimethyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol, Imidazo[4,5,1-jk][1,4]benzodiazepine-8-methyl-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-
| Molecular Formula | C17H23N3O |
|---|---|
| Molecular Weight | 285.18 g/mol |
| LogP | 2.80832 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.1841 |
| Heavy Atoms | 21 |
| Complexity | 762.1686 |
Chemical Identifiers
| CAS Number | 257891-53-5 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C)NC2=O |
Product Overview
dimethyl(3-methylbut-2-enyl)[?]one (CAS 257891-53-5), with molecular formula C17H23N3O and molecular weight 285.18 g/mol. IUPAC: 7,11-dimethyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one.
Chemical Property Profile of dimethyl(3-methylbut-2-enyl)[?]one
Property Insights of dimethyl(3-methylbut-2-enyl)[?]one
The XLogP value of 2.80832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl(3-methylbut-2-enyl)[?]one. With a topological polar surface area (TPSA) of 41.03 Ų, dimethyl(3-methylbut-2-enyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl(3-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 dimethyl(3-methylbut-2-enyl)[?]one?
The CAS number of dimethyl(3-methylbut-2-enyl)[?]one is 257891-53-5.
What is the molecular formula of dimethyl(3-methylbut-2-enyl)[?]one?
The molecular formula of dimethyl(3-methylbut-2-enyl)[?]one is C17H23N3O.
What is the molecular weight of dimethyl(3-methylbut-2-enyl)[?]one?
The molecular weight of dimethyl(3-methylbut-2-enyl)[?]one is 285.18 g/mol.
Where can I buy dimethyl(3-methylbut-2-enyl)[?]one?
You can request a quote for dimethyl(3-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 dimethyl(3-methylbut-2-enyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for dimethyl(3-methylbut-2-enyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.