AE-842/31985041
TL;DR: AE-842/31985041 (CAS 23950-38-1) is a chemical compound with molecular formula C20H20N2 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene
Also Known As: AE-842/31985041, 3,5-Diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene, 1,3-Diphenyl-4,7-methano-3a,4,5,6,7,7a-hexahydroindazol, 3,5-diphenyl-3,4-diazatricyclo[5.2.1.0~2,6~]dec-4-ene, 1,3-diphenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-indazole
| Molecular Formula | C20H20N2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.16266 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 23950-38-1 |
|---|---|
| SMILES | C1CC2CC1C3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | WESSKLLMYOYFPY-UHFFFAOYSA-N |
Product Overview
AE-842/31985041 (CAS 23950-38-1), with molecular formula C20H20N2 and molecular weight 288.16 g/mol. IUPAC: 3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene.
Chemical Property Profile of AE-842/31985041
Property Insights of AE-842/31985041
The XLogP value of 4.9 indicates that AE-842/31985041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, AE-842/31985041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-842/31985041 has 0 hydrogen bond donor(s) and 2 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 AE-842/31985041?
The CAS number of AE-842/31985041 is 23950-38-1.
What is the molecular formula of AE-842/31985041?
The molecular formula of AE-842/31985041 is C20H20N2.
What is the molecular weight of AE-842/31985041?
The molecular weight of AE-842/31985041 is 288.16 g/mol.
Where can I buy AE-842/31985041?
You can request a quote for AE-842/31985041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-842/31985041?
Yes, KEHONG BIO provides custom synthesis services for AE-842/31985041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.