![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate structure](/static/products/4523/452301-32-5.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate (CAS 452301-32-5) is a chemical compound with molecular formula C15H10IN3O3 and molecular weight 406.98 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-iodobenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-iodobenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-iodobenzoate, F0624-0069
| Molecular Formula | C15H10IN3O3 |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | 2.2106 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.97668 |
| Heavy Atoms | 22 |
| Complexity | 907.6733 |
Chemical Identifiers
| CAS Number | 452301-32-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3I |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate (CAS 452301-32-5), with molecular formula C15H10IN3O3 and molecular weight 406.98 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-iodobenzoate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate
The XLogP value of 2.2106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate has 0 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 (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate is 452301-32-5.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate is C15H10IN3O3.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate is 406.98 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate 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-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.