![6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide structure](/static/products/896/896599-94-3.png)
6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
TL;DR: 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CAS 896599-94-3) is a chemical compound with molecular formula C27H22N4O4 and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide, F3345-0220, 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide, 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide, 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
| Molecular Formula | C27H22N4O4 |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 4.02942 |
| Topological Polar Surface Area | 86.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1641 |
| Heavy Atoms | 35 |
| Complexity | 1653.4993 |
Chemical Identifiers
| CAS Number | 896599-94-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3CC4=CC=CC=C4)C(=O)NC5=CC6=C(C=C5)OCCO6 |
Product Overview
6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CAS 896599-94-3), with molecular formula C27H22N4O4 and molecular weight 466.16 g/mol. IUPAC: 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
Chemical Property Profile of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Property Insights of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
The XLogP value of 4.02942 indicates that 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide. Following Lipinski's Rule of Five, 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide 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 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The CAS number of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is 896599-94-3.
What is the molecular formula of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The molecular formula of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is C27H22N4O4.
What is the molecular weight of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The molecular weight of 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is 466.16 g/mol.
Where can I buy 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
You can request a quote for 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.