![6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid structure](/static/products/885/885461-22-3.png)
6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
TL;DR: 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid (CAS 885461-22-3) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
Also Known As: 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid, 1-benzyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, 6-benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid, 6-benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid, 6-benzyl-2-oxo-1,6,8-triazatricyclo(7.4.0.0,3,7)trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.3957 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 1126.8796 |
Chemical Identifiers
| CAS Number | 885461-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=CC3=C2N=C4C=CC=CN4C3=O)C(=O)O |
Product Overview
6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid (CAS 885461-22-3), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: 6-benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid.
Chemical Property Profile of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
Property Insights of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
The XLogP value of 2.3957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid. Following Lipinski's Rule of Five, 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid?
The CAS number of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid is 885461-22-3.
What is the molecular formula of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid?
The molecular formula of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid is C18H13N3O3.
What is the molecular weight of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid?
The molecular weight of 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid is 319.10 g/mol.
Where can I buy 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid?
You can request a quote for 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0,3,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.