(4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate (CAS 453535-93-8) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 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 propanoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl propionate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl propanoate, (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl propanoate
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.7022 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 606.1783 |
Chemical Identifiers
| CAS Number | 453535-93-8 |
|---|---|
| SMILES | CCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate (CAS 453535-93-8), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
The XLogP value of 0.7022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate 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-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate is 453535-93-8.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate is C11H11N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate is 233.08 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate 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 propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.