AO-081/15245185
TL;DR: AO-081/15245185 (CAS 495402-81-8) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/15245185, 2-(3-chlorophenyl)-9-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(3-chlorophenyl)-9-(4-methoxyphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
| Molecular Formula | C21H20ClN3O3 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.8842 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.11932 |
| Heavy Atoms | 28 |
| Complexity | 948.16693 |
Chemical Identifiers
| CAS Number | 495402-81-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)N5N2CCC5 |
Product Overview
AO-081/15245185 (CAS 495402-81-8), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: 4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/15245185
Property Insights of AO-081/15245185
The XLogP value of 2.8842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/15245185. With a topological polar surface area (TPSA) of 53.09 Ų, AO-081/15245185 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/15245185 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-081/15245185?
The CAS number of AO-081/15245185 is 495402-81-8.
What is the molecular formula of AO-081/15245185?
The molecular formula of AO-081/15245185 is C21H20ClN3O3.
What is the molecular weight of AO-081/15245185?
The molecular weight of AO-081/15245185 is 397.12 g/mol.
Where can I buy AO-081/15245185?
You can request a quote for AO-081/15245185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15245185?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15245185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.