![4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one structure](/static/products/866/866346-27-2.png)
4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one
TL;DR: 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one (CAS 866346-27-2) is a chemical compound with molecular formula C20H21BrN2O5 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
Also Known As: 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one, 8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one, 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one, 8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
| Molecular Formula | C20H21BrN2O5 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 4.2445 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.0634 |
| Heavy Atoms | 28 |
| Complexity | 925.18353 |
Chemical Identifiers
| CAS Number | 866346-27-2 |
|---|---|
| SMILES | CC12CC(C3=C(O1)C=CC(=C3)Br)NC(=O)N2C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one (CAS 866346-27-2), with molecular formula C20H21BrN2O5 and molecular weight 448.06 g/mol. IUPAC: 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
Chemical Property Profile of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one
Property Insights of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one
The XLogP value of 4.2445 indicates that 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one. Following Lipinski's Rule of Five, 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one has 1 hydrogen bond donor(s) and 5 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 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one?
The CAS number of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one is 866346-27-2.
What is the molecular formula of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one?
The molecular formula of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one is C20H21BrN2O5.
What is the molecular weight of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one?
The molecular weight of 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one is 448.06 g/mol.
Where can I buy 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one?
You can request a quote for 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.