![3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide structure](/static/products/713/713084-55-0.png)
3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide
TL;DR: 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide (CAS 713084-55-0) is a chemical compound with molecular formula C21H21N5O5 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Also Known As: 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide, 3,4,5-trimethoxy-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide, 3,4,5-trimethoxy-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide, 3,4,5-trimethoxy-N-(5-oxo-7-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
| Molecular Formula | C21H21N5O5 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 2.4878 |
| Topological Polar Surface Area | 116.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.15427 |
| Heavy Atoms | 31 |
| Complexity | 1103.4392 |
Chemical Identifiers
| CAS Number | 713084-55-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN3C(CC(=O)NC3=N2)C4=CC=CC=C4 |
Product Overview
3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide (CAS 713084-55-0), with molecular formula C21H21N5O5 and molecular weight 423.15 g/mol. IUPAC: 3,4,5-trimethoxy-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide
Property Insights of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide
The XLogP value of 2.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide. The TPSA of 116.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide has 2 hydrogen bond donor(s) and 7 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 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide?
The CAS number of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide is 713084-55-0.
What is the molecular formula of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide?
The molecular formula of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide is C21H21N5O5.
What is the molecular weight of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide?
The molecular weight of 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide is 423.15 g/mol.
Where can I buy 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide?
You can request a quote for 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethoxy-N-(4-oxo-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-5,7-dien-8-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.