![bromo-methyl-(3-methylbut-2-enyl)[?]one structure](/static/products/2578/257891-55-7.webp)
bromo-methyl-(3-methylbut-2-enyl)[?]one
TL;DR: bromo-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-55-7) is a chemical compound with molecular formula C16H20BrN3O and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-11-methyl-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: bromo-methyl-(3-methylbut-2-enyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, 8-Bromo-5-methyl-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]benzodiazepin-2(1H)-one, 8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one,8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-
| Molecular Formula | C16H20BrN3O |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 3.2624 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.07898 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-55-7 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Br)NC2=O |
Product Overview
bromo-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-55-7), with molecular formula C16H20BrN3O and molecular weight 349.08 g/mol. IUPAC: 7-bromo-11-methyl-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 bromo-methyl-(3-methylbut-2-enyl)[?]one
Property Insights of bromo-methyl-(3-methylbut-2-enyl)[?]one
The XLogP value of 3.2624 indicates that bromo-methyl-(3-methylbut-2-enyl)[?]one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.03 Ų, bromo-methyl-(3-methylbut-2-enyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bromo-methyl-(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 bromo-methyl-(3-methylbut-2-enyl)[?]one?
The CAS number of bromo-methyl-(3-methylbut-2-enyl)[?]one is 257891-55-7.
What is the molecular formula of bromo-methyl-(3-methylbut-2-enyl)[?]one?
The molecular formula of bromo-methyl-(3-methylbut-2-enyl)[?]one is C16H20BrN3O.
What is the molecular weight of bromo-methyl-(3-methylbut-2-enyl)[?]one?
The molecular weight of bromo-methyl-(3-methylbut-2-enyl)[?]one is 349.08 g/mol.
Where can I buy bromo-methyl-(3-methylbut-2-enyl)[?]one?
You can request a quote for bromo-methyl-(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 bromo-methyl-(3-methylbut-2-enyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for bromo-methyl-(3-methylbut-2-enyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.