(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate (CAS 452301-77-8) is a chemical compound with molecular formula C16H11N3O5 and molecular weight 325.07 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 1,3-benzodioxole-5-carboxylate
Also Known As: F0624-0077, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2H-1,3-benzodioxole-5-carboxylate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl benzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C16H11N3O5 |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 1.3347 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0699 |
| Heavy Atoms | 24 |
| Complexity | 998.4146 |
Chemical Identifiers
| CAS Number | 452301-77-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate (CAS 452301-77-8), with molecular formula C16H11N3O5 and molecular weight 325.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate
The XLogP value of 1.3347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-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 1,3-benzodioxole-5-carboxylate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate is 452301-77-8.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate is C16H11N3O5.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate is 325.07 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-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 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.