(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
TL;DR: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 432011-09-1) is a chemical compound with molecular formula C19H13ClN4O4 and molecular weight 396.06 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 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
| Molecular Formula | C19H13ClN4O4 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.22282 |
| Topological Polar Surface Area | 100.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.06253 |
| Heavy Atoms | 28 |
| Complexity | 1248.1514 |
Chemical Identifiers
| CAS Number | 432011-09-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 432011-09-1), with molecular formula C19H13ClN4O4 and molecular weight 396.06 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Property Insights of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
The XLogP value of 3.22282 indicates that (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-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-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The CAS number of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 432011-09-1.
What is the molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular formula of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is C19H13ClN4O4.
What is the molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular weight of (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 396.06 g/mol.
Where can I buy (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
You can request a quote for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-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-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.