AO-081/15570092
TL;DR: AO-081/15570092 (CAS 495384-36-6) is a chemical compound with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-nitrophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/15570092, 3a-methyl-2-(3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-Methyl-4-(3-nitrophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione, 2-{3-nitrophenyl}-3a-methyl-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 3a-methyl-2-(3-nitrophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C21H20N4O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 2.5205 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.14847 |
| Heavy Atoms | 29 |
| Complexity | 1026.351 |
Chemical Identifiers
| CAS Number | 495384-36-6 |
|---|---|
| SMILES | CC12C(C(N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AO-081/15570092 (CAS 495384-36-6), with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol. IUPAC: 2-methyl-4-(3-nitrophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/15570092
Property Insights of AO-081/15570092
The XLogP value of 2.5205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/15570092. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15570092. Following Lipinski's Rule of Five, AO-081/15570092 has 0 hydrogen bond donor(s) and 6 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-081/15570092?
The CAS number of AO-081/15570092 is 495384-36-6.
What is the molecular formula of AO-081/15570092?
The molecular formula of AO-081/15570092 is C21H20N4O4.
What is the molecular weight of AO-081/15570092?
The molecular weight of AO-081/15570092 is 392.15 g/mol.
Where can I buy AO-081/15570092?
You can request a quote for AO-081/15570092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15570092?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15570092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.