(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
TL;DR: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 453533-60-3) is a chemical compound with molecular formula C18H16ClN3O4 and molecular weight 373.08 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-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
| Molecular Formula | C18H16ClN3O4 |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 2.8032 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.08295 |
| Heavy Atoms | 26 |
| Complexity | 999.2389 |
Chemical Identifiers
| CAS Number | 453533-60-3 |
|---|---|
| SMILES | CC(C)(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=CC=C(C=C3)Cl |
Product Overview
(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS 453533-60-3), with molecular formula C18H16ClN3O4 and molecular weight 373.08 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
Property Insights of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
The XLogP value of 2.8032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate. Following Lipinski's Rule of Five, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate has 0 hydrogen bond donor(s) and 6 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 2-(4-chlorophenoxy)-2-methylpropanoate?
The CAS number of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is 453533-60-3.
What is the molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is C18H16ClN3O4.
What is the molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is 373.08 g/mol.
Where can I buy (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
You can request a quote for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate 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 2-(4-chlorophenoxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.