AO-081/41546882
TL;DR: AO-081/41546882 (CAS 1005133-91-4) is a chemical compound with molecular formula C31H27NO2 and molecular weight 445.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-10-[bis(4-methylphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: AO-081/41546882, 2-benzyl-8-[bis(4-methylphenyl)methylidene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-benzyl-8-(di-p-tolylmethylene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-benzyl-10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 4-benzyl-10-[bis(4-methylphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C31H27NO2 |
|---|---|
| Molecular Weight | 445.20 g/mol |
| LogP | 5.72254 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.2042 |
| Heavy Atoms | 34 |
| Complexity | 1250.9441 |
Chemical Identifiers
| CAS Number | 1005133-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CC=C5)C6=CC=C(C=C6)C |
Product Overview
AO-081/41546882 (CAS 1005133-91-4), with molecular formula C31H27NO2 and molecular weight 445.20 g/mol. IUPAC: 4-benzyl-10-[bis(4-methylphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of AO-081/41546882
Property Insights of AO-081/41546882
The XLogP value of 5.72254 indicates that AO-081/41546882 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, AO-081/41546882 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41546882 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/41546882?
The CAS number of AO-081/41546882 is 1005133-91-4.
What is the molecular formula of AO-081/41546882?
The molecular formula of AO-081/41546882 is C31H27NO2.
What is the molecular weight of AO-081/41546882?
The molecular weight of AO-081/41546882 is 445.20 g/mol.
Where can I buy AO-081/41546882?
You can request a quote for AO-081/41546882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41546882?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41546882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.