(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
TL;DR: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 452968-19-3) is a chemical compound with molecular formula C18H13N3O5 and molecular weight 351.09 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 (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C18H13N3O5 |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 1.7343 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0855 |
| Heavy Atoms | 26 |
| Complexity | 1073.8547 |
Chemical Identifiers
| CAS Number | 452968-19-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 452968-19-3), with molecular formula C18H13N3O5 and molecular weight 351.09 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
Property Insights of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
The XLogP value of 1.7343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate. Following Lipinski's Rule of Five, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate 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-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The CAS number of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is 452968-19-3.
What is the molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is C18H13N3O5.
What is the molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is 351.09 g/mol.
Where can I buy (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
You can request a quote for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.