AO-081/40770611
TL;DR: AO-081/40770611 (CAS 459147-47-8) is a chemical compound with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40770611, 9-(4-bromophenyl)-2-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 7-(4-Bromophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione, 9-(4-bromophenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C21H20BrN3O3 |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 2.9933 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.0688 |
| Heavy Atoms | 28 |
| Complexity | 930.91693 |
Chemical Identifiers
| CAS Number | 459147-47-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)Br |
Product Overview
AO-081/40770611 (CAS 459147-47-8), with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol. IUPAC: 7-(4-bromophenyl)-4-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40770611
Property Insights of AO-081/40770611
The XLogP value of 2.9933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40770611. With a topological polar surface area (TPSA) of 53.09 Ų, AO-081/40770611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40770611 has 0 hydrogen bond donor(s) and 5 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-081/40770611?
The CAS number of AO-081/40770611 is 459147-47-8.
What is the molecular formula of AO-081/40770611?
The molecular formula of AO-081/40770611 is C21H20BrN3O3.
What is the molecular weight of AO-081/40770611?
The molecular weight of AO-081/40770611 is 441.07 g/mol.
Where can I buy AO-081/40770611?
You can request a quote for AO-081/40770611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40770611?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40770611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.