AO-081/40801158
TL;DR: AO-081/40801158 (CAS 495385-59-6) is a chemical compound with molecular formula C21H19ClFN3O3 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-fluorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40801158, 2-(4-chloro-3-fluorophenyl)-9-(4-methoxyphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(4-chloro-3-fluorophenyl)-9-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 4-(4-Chloro-3-fluorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
| Molecular Formula | C21H19ClFN3O3 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.0233 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.1099 |
| Heavy Atoms | 29 |
| Complexity | 999.1659 |
Chemical Identifiers
| CAS Number | 495385-59-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)F)N5N2CCC5 |
Product Overview
AO-081/40801158 (CAS 495385-59-6), with molecular formula C21H19ClFN3O3 and molecular weight 415.11 g/mol. IUPAC: 4-(4-chloro-3-fluorophenyl)-7-(4-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40801158
Property Insights of AO-081/40801158
The XLogP value of 3.0233 indicates that AO-081/40801158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, AO-081/40801158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40801158 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-081/40801158?
The CAS number of AO-081/40801158 is 495385-59-6.
What is the molecular formula of AO-081/40801158?
The molecular formula of AO-081/40801158 is C21H19ClFN3O3.
What is the molecular weight of AO-081/40801158?
The molecular weight of AO-081/40801158 is 415.11 g/mol.
Where can I buy AO-081/40801158?
You can request a quote for AO-081/40801158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40801158?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40801158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.