AO-081/40770614
TL;DR: AO-081/40770614 (CAS 495385-36-9) is a chemical compound with molecular formula C20H18BrN3O2 and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40770614, 9-(4-bromophenyl)-2-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 9-(4-bromophenyl)-2-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H18BrN3O2 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 2.9847 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.05823 |
| Heavy Atoms | 26 |
| Complexity | 870.3848 |
Chemical Identifiers
| CAS Number | 495385-36-9 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br |
Product Overview
AO-081/40770614 (CAS 495385-36-9), with molecular formula C20H18BrN3O2 and molecular weight 411.06 g/mol. IUPAC: 7-(4-bromophenyl)-4-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40770614
Property Insights of AO-081/40770614
The XLogP value of 2.9847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40770614. With a topological polar surface area (TPSA) of 43.86 Ų, AO-081/40770614 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40770614 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-081/40770614?
The CAS number of AO-081/40770614 is 495385-36-9.
What is the molecular formula of AO-081/40770614?
The molecular formula of AO-081/40770614 is C20H18BrN3O2.
What is the molecular weight of AO-081/40770614?
The molecular weight of AO-081/40770614 is 411.06 g/mol.
Where can I buy AO-081/40770614?
You can request a quote for AO-081/40770614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40770614?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40770614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.