![bromo-methyl-(3-methylbut-2-enyl)[?]thione structure](/static/products/2578/257891-64-8.webp)
bromo-methyl-(3-methylbut-2-enyl)[?]thione
TL;DR: bromo-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-64-8) is a chemical compound with molecular formula C16H20BrN3S and molecular weight 365.06 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-triene-2-thione
Also Known As: bromo-methyl-(3-methylbut-2-enyl)[?]thione, J1.501.713I, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, 5-Methyl-6-(3,3-dimethylallyl)-8-bromo-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 7-bromo-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
| Molecular Formula | C16H20BrN3S |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 4.63169 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.05612 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-64-8 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Br)NC2=S |
Product Overview
bromo-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-64-8), with molecular formula C16H20BrN3S and molecular weight 365.06 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-triene-2-thione.
Chemical Property Profile of bromo-methyl-(3-methylbut-2-enyl)[?]thione
Property Insights of bromo-methyl-(3-methylbut-2-enyl)[?]thione
The XLogP value of 4.63169 indicates that bromo-methyl-(3-methylbut-2-enyl)[?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, bromo-methyl-(3-methylbut-2-enyl)[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bromo-methyl-(3-methylbut-2-enyl)[?]thione 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)[?]thione?
The CAS number of bromo-methyl-(3-methylbut-2-enyl)[?]thione is 257891-64-8.
What is the molecular formula of bromo-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular formula of bromo-methyl-(3-methylbut-2-enyl)[?]thione is C16H20BrN3S.
What is the molecular weight of bromo-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular weight of bromo-methyl-(3-methylbut-2-enyl)[?]thione is 365.06 g/mol.
Where can I buy bromo-methyl-(3-methylbut-2-enyl)[?]thione?
You can request a quote for bromo-methyl-(3-methylbut-2-enyl)[?]thione 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)[?]thione?
Yes, KEHONG BIO provides custom synthesis services for bromo-methyl-(3-methylbut-2-enyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.