AO-081/40997421
TL;DR: AO-081/40997421 (CAS 495387-99-0) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyphenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40997421, 9-(2-methoxyphenyl)-2-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 9-(2-methoxyphenyl)-2-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C22H23N3O3 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 2.53922 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.17395 |
| Heavy Atoms | 28 |
| Complexity | 942.2981 |
Chemical Identifiers
| CAS Number | 495387-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=CC=C5OC |
Product Overview
AO-081/40997421 (CAS 495387-99-0), with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol. IUPAC: 7-(2-methoxyphenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40997421
Property Insights of AO-081/40997421
The XLogP value of 2.53922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40997421. With a topological polar surface area (TPSA) of 53.09 Ų, AO-081/40997421 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40997421 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-081/40997421?
The CAS number of AO-081/40997421 is 495387-99-0.
What is the molecular formula of AO-081/40997421?
The molecular formula of AO-081/40997421 is C22H23N3O3.
What is the molecular weight of AO-081/40997421?
The molecular weight of AO-081/40997421 is 377.17 g/mol.
Where can I buy AO-081/40997421?
You can request a quote for AO-081/40997421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40997421?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40997421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.