AO-081/40738454
TL;DR: AO-081/40738454 (CAS 495384-55-9) is a chemical compound with molecular formula C26H26ClNO2 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-adamantylidene)-4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: AO-081/40738454, 10-(2-Adamantylidene)-4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 4-(3-chloro-4-methylphenyl)-10-tricyclo[3.3.1.1~3,7~]dec-2-ylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 8-(adamantan-2-ylidene)-2-(3-chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, (3aR,4R,7S,7aS)-8-((1R,3S,5R,7R)-adamantan-2-ylidene)-2-(3-chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C26H26ClNO2 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 5.32252 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.1652 |
| Heavy Atoms | 30 |
| Complexity | 1004.79193 |
Chemical Identifiers
| CAS Number | 495384-55-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C5C6CC7CC(C6)CC5C7)Cl |
Product Overview
AO-081/40738454 (CAS 495384-55-9), with molecular formula C26H26ClNO2 and molecular weight 419.17 g/mol. IUPAC: 10-(2-adamantylidene)-4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of AO-081/40738454
Property Insights of AO-081/40738454
The XLogP value of 5.32252 indicates that AO-081/40738454 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-081/40738454 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40738454 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-081/40738454?
The CAS number of AO-081/40738454 is 495384-55-9.
What is the molecular formula of AO-081/40738454?
The molecular formula of AO-081/40738454 is C26H26ClNO2.
What is the molecular weight of AO-081/40738454?
The molecular weight of AO-081/40738454 is 419.17 g/mol.
Where can I buy AO-081/40738454?
You can request a quote for AO-081/40738454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40738454?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40738454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.