3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 72553-67-4) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one, 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one, 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxyethyl)-, 3-(2-hydroxyethyl)-3,4-dihydro-1,2,3-benzotriazin-4-one, 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)one
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | -0.2162 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 506.6284 |
Chemical Identifiers
| CAS Number | 72553-67-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCO |
Product Overview
3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 72553-67-4), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one
The XLogP value of -0.2162 indicates that 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one has 1 hydrogen bond donor(s) and 4 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 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one is 72553-67-4.
What is the molecular formula of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one is C9H9N3O2.
What is the molecular weight of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one is 191.07 g/mol.
Where can I buy 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.