![2-bromoallyl(methyl)[?]one structure](/static/products/1411/141114-20-7.webp)
2-bromoallyl(methyl)[?]one
TL;DR: 2-bromoallyl(methyl)[?]one (CAS 141114-20-7) is a chemical compound with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-bromoprop-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: 2-bromoallyl(methyl)[?]one, 6-(2-Bromopropen-3-yl)-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, 6-(2-bromo-2-propenyl)-4,5,6,7-tetrahydro-5-methyl-, (+/-)-6-(2-Bromopropen-3-yl)-4,5,6,7-tetrahydro-5-methylimidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one, 10-(2-bromoprop-2-en-1-yl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
| Molecular Formula | C14H16BrN3O |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.04767 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 141114-20-7 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC(=C)Br)C=CC=C3NC2=O |
| InChIKey | WMHRHEFZPVTXLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromoallyl(methyl)[?]one (CAS 141114-20-7), with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol. IUPAC: 10-(2-bromoprop-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of 2-bromoallyl(methyl)[?]one
Property Insights of 2-bromoallyl(methyl)[?]one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromoallyl(methyl)[?]one. With a topological polar surface area (TPSA) of 35.6 Ų, 2-bromoallyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromoallyl(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 2-bromoallyl(methyl)[?]one?
The CAS number of 2-bromoallyl(methyl)[?]one is 141114-20-7.
What is the molecular formula of 2-bromoallyl(methyl)[?]one?
The molecular formula of 2-bromoallyl(methyl)[?]one is C14H16BrN3O.
What is the molecular weight of 2-bromoallyl(methyl)[?]one?
The molecular weight of 2-bromoallyl(methyl)[?]one is 321.05 g/mol.
Where can I buy 2-bromoallyl(methyl)[?]one?
You can request a quote for 2-bromoallyl(methyl)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromoallyl(methyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for 2-bromoallyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.