AO-081/40738375
TL;DR: AO-081/40738375 (CAS 495384-52-6) is a chemical compound with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-2,7-diphenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40738375, 2-(4-ethoxyphenyl)-3a,9-diphenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(4-ethoxyphenyl)-3a,9-diphenylperhydro-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3-dione, 4-(4-ethoxyphenyl)-2,7-diphenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
| Molecular Formula | C28H27N3O3 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 4.1478 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.20523 |
| Heavy Atoms | 34 |
| Complexity | 1214.6633 |
Chemical Identifiers
| CAS Number | 495384-52-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3(C2=O)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
AO-081/40738375 (CAS 495384-52-6), with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol. IUPAC: 4-(4-ethoxyphenyl)-2,7-diphenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40738375
Property Insights of AO-081/40738375
The XLogP value of 4.1478 indicates that AO-081/40738375 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-081/40738375 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40738375 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-081/40738375?
The CAS number of AO-081/40738375 is 495384-52-6.
What is the molecular formula of AO-081/40738375?
The molecular formula of AO-081/40738375 is C28H27N3O3.
What is the molecular weight of AO-081/40738375?
The molecular weight of AO-081/40738375 is 453.21 g/mol.
Where can I buy AO-081/40738375?
You can request a quote for AO-081/40738375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40738375?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40738375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.