AO-081/40997338
TL;DR: AO-081/40997338 (CAS 499110-87-1) is a chemical compound with molecular formula C21H18ClN3O and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
Also Known As: AO-081/40997338, 1-(2-chlorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one, 3-(2-chlorophenyl)-2-(1-naphthyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one, 3-(2-chlorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one, 3-(2-chlorophenyl)-2-(naphthalen-1-yl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
| Molecular Formula | C21H18ClN3O |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 5.0547 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.11383 |
| Heavy Atoms | 26 |
| Complexity | 999.9726 |
Chemical Identifiers
| CAS Number | 499110-87-1 |
|---|---|
| SMILES | C1CN2C(N(C(=O)N2C1)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5Cl |
Product Overview
AO-081/40997338 (CAS 499110-87-1), with molecular formula C21H18ClN3O and molecular weight 363.11 g/mol. IUPAC: 1-(2-chlorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
Chemical Property Profile of AO-081/40997338
Property Insights of AO-081/40997338
The XLogP value of 5.0547 indicates that AO-081/40997338 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-081/40997338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40997338 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40997338?
The CAS number of AO-081/40997338 is 499110-87-1.
What is the molecular formula of AO-081/40997338?
The molecular formula of AO-081/40997338 is C21H18ClN3O.
What is the molecular weight of AO-081/40997338?
The molecular weight of AO-081/40997338 is 363.11 g/mol.
Where can I buy AO-081/40997338?
You can request a quote for AO-081/40997338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40997338?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40997338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.