AO-081/40770612
TL;DR: AO-081/40770612 (CAS 459153-55-0) is a chemical compound with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40770612, 9-(4-bromophenyl)-2-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 9-(4-bromophenyl)-2-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 7-(4-Bromophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
| Molecular Formula | C21H20BrN3O2 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.29312 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.07388 |
| Heavy Atoms | 27 |
| Complexity | 912.0289 |
Chemical Identifiers
| CAS Number | 459153-55-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)Br |
Product Overview
AO-081/40770612 (CAS 459153-55-0), with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol. IUPAC: 7-(4-bromophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40770612
Property Insights of AO-081/40770612
The XLogP value of 3.29312 indicates that AO-081/40770612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, AO-081/40770612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40770612 has 0 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 AO-081/40770612?
The CAS number of AO-081/40770612 is 459153-55-0.
What is the molecular formula of AO-081/40770612?
The molecular formula of AO-081/40770612 is C21H20BrN3O2.
What is the molecular weight of AO-081/40770612?
The molecular weight of AO-081/40770612 is 425.07 g/mol.
Where can I buy AO-081/40770612?
You can request a quote for AO-081/40770612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40770612?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40770612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.