AO-081/40770629
TL;DR: AO-081/40770629 (CAS 498533-62-3) is a chemical compound with molecular formula C17H15Cl2N3O and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
Also Known As: AO-081/40770629, 3-(2,4-dichlorophenyl)-2-phenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one, 1-(2,4-dichlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one, 3-(2,4-dichlorophenyl)-2-phenyltetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one
| Molecular Formula | C17H15Cl2N3O |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 4.5549 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.0592 |
| Heavy Atoms | 23 |
| Complexity | 752.7586 |
Chemical Identifiers
| CAS Number | 498533-62-3 |
|---|---|
| SMILES | C1CN2C(N(C(=O)N2C1)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
AO-081/40770629 (CAS 498533-62-3), with molecular formula C17H15Cl2N3O and molecular weight 347.06 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
Chemical Property Profile of AO-081/40770629
Property Insights of AO-081/40770629
The XLogP value of 4.5549 indicates that AO-081/40770629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.79 Ų, AO-081/40770629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40770629 has 0 hydrogen bond donor(s) and 2 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 AO-081/40770629?
The CAS number of AO-081/40770629 is 498533-62-3.
What is the molecular formula of AO-081/40770629?
The molecular formula of AO-081/40770629 is C17H15Cl2N3O.
What is the molecular weight of AO-081/40770629?
The molecular weight of AO-081/40770629 is 347.06 g/mol.
Where can I buy AO-081/40770629?
You can request a quote for AO-081/40770629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40770629?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40770629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.