![iodo-methyl-(3-methylbut-2-enyl)[?]one structure](/static/products/2578/257891-54-6.webp)
iodo-methyl-(3-methylbut-2-enyl)[?]one
TL;DR: iodo-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-54-6) is a chemical compound with molecular formula C16H20IN3O and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-iodo-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: iodo-methyl-(3-methylbut-2-enyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-, 8-Iodo-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]benzodiazepine-8-iodo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-
| Molecular Formula | C16H20IN3O |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 3.1045 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.06512 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-54-6 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)I)NC2=O |
Product Overview
iodo-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-54-6), with molecular formula C16H20IN3O and molecular weight 397.07 g/mol. IUPAC: 7-iodo-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 iodo-methyl-(3-methylbut-2-enyl)[?]one
Property Insights of iodo-methyl-(3-methylbut-2-enyl)[?]one
The XLogP value of 3.1045 indicates that iodo-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, iodo-methyl-(3-methylbut-2-enyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, iodo-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 iodo-methyl-(3-methylbut-2-enyl)[?]one?
The CAS number of iodo-methyl-(3-methylbut-2-enyl)[?]one is 257891-54-6.
What is the molecular formula of iodo-methyl-(3-methylbut-2-enyl)[?]one?
The molecular formula of iodo-methyl-(3-methylbut-2-enyl)[?]one is C16H20IN3O.
What is the molecular weight of iodo-methyl-(3-methylbut-2-enyl)[?]one?
The molecular weight of iodo-methyl-(3-methylbut-2-enyl)[?]one is 397.07 g/mol.
Where can I buy iodo-methyl-(3-methylbut-2-enyl)[?]one?
You can request a quote for iodo-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 iodo-methyl-(3-methylbut-2-enyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for iodo-methyl-(3-methylbut-2-enyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.