2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
TL;DR: 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one (CAS 866346-24-9) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Also Known As: 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one, 9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one, 2-methyl-3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one
| Molecular Formula | C20H22N2O5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.482 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.15286 |
| Heavy Atoms | 27 |
| Complexity | 874.686 |
Chemical Identifiers
| CAS Number | 866346-24-9 |
|---|---|
| SMILES | CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one (CAS 866346-24-9), with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol. IUPAC: 9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
Chemical Property Profile of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Property Insights of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
The XLogP value of 3.482 indicates that 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-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 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one. Following Lipinski's Rule of Five, 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-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 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The CAS number of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is 866346-24-9.
What is the molecular formula of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The molecular formula of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is C20H22N2O5.
What is the molecular weight of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
The molecular weight of 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one is 370.15 g/mol.
Where can I buy 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
You can request a quote for 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.