![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate structure](/static/products/849/849532-54-3.png)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate (CAS 849532-54-3) is a chemical compound with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-3-nitrobenzoate
Also Known As: AB00684674-01, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-3-nitrobenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate, F0624-0023, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-methyl-3-nitrobenzoate
| Molecular Formula | C16H12N4O5 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.82262 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.08078 |
| Heavy Atoms | 25 |
| Complexity | 1044.1196 |
Chemical Identifiers
| CAS Number | 849532-54-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate (CAS 849532-54-3), with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-3-nitrobenzoate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate
The XLogP value of 1.82262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate has 0 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 (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate is 849532-54-3.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate is C16H12N4O5.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate is 340.08 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.