![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate structure](/static/products/4546/454677-56-6.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate (CAS 454677-56-6) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 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-phenylbutanoate
Also Known As: ChemDiv3_009092, IDI1_027002, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbutanoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-phenylbutanoate
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.486 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 906.031 |
Chemical Identifiers
| CAS Number | 454677-56-6 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate (CAS 454677-56-6), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbutanoate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate
The XLogP value of 2.486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate has 0 hydrogen bond donor(s) and 5 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-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate is 454677-56-6.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate is C18H17N3O3.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate is 323.13 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.