(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate (CAS 851863-01-9) is a chemical compound with molecular formula C18H11N3O5 and molecular weight 349.07 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-oxochromene-3-carboxylate
Also Known As: AB00684678-01, F0624-0114, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C18H11N3O5 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 1.7124 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0699 |
| Heavy Atoms | 26 |
| Complexity | 1258.8773 |
Chemical Identifiers
| CAS Number | 851863-01-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate (CAS 851863-01-9), with molecular formula C18H11N3O5 and molecular weight 349.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate
The XLogP value of 1.7124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate 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-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate is 851863-01-9.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate is C18H11N3O5.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate is 349.07 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.