1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-
TL;DR: 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- (CAS 72553-68-5) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxypropyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(2-hydroxypropyl)-1,2,3-benzotriazin-4-one, 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-, 3-(2-Hydroxypropyl)-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 72553-68-5 |
|---|---|
| SMILES | CC(CN1C(=O)C2=CC=CC=C2N=N1)O |
| InChIKey | FKARCXPGASOGLA-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- (CAS 72553-68-5), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 3-(2-hydroxypropyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-
Property Insights of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-. Following Lipinski's Rule of Five, 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- 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 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-?
The CAS number of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- is 72553-68-5.
What is the molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-?
The molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- is C10H11N3O2.
What is the molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-?
The molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- is 205.09 g/mol.
Where can I buy 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-?
You can request a quote for 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.