![3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one structure](/static/products/6875/687580-35-4.webp)
3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
TL;DR: 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one (CAS 687580-35-4) is a chemical compound with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
Also Known As: 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one, F0919-5860, 10-(4-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one, 10-(4-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one, 3(4bromophenyl)2methyl8nitro2,3,5,6tetrahydro4h2,6methano1,3,5benzoxadiazocin4one
| Molecular Formula | C17H14BrN3O4 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 4.1269 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.01678 |
| Heavy Atoms | 25 |
| Complexity | 885.96173 |
Chemical Identifiers
| CAS Number | 687580-35-4 |
|---|---|
| SMILES | CC12CC(C3=C(O1)C=CC(=C3)[N+](=O)[O-])NC(=O)N2C4=CC=C(C=C4)Br |
Product Overview
3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one (CAS 687580-35-4), with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol. IUPAC: 10-(4-bromophenyl)-9-methyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
Chemical Property Profile of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
Property Insights of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
The XLogP value of 4.1269 indicates that 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one has 1 hydrogen bond donor(s) and 4 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 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one?
The CAS number of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one is 687580-35-4.
What is the molecular formula of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one?
The molecular formula of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one is C17H14BrN3O4.
What is the molecular weight of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one?
The molecular weight of 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one is 403.02 g/mol.
Where can I buy 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one?
You can request a quote for 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-2-methyl-8-nitro-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.