AE-848/42434904
TL;DR: AE-848/42434904 (CAS 825601-52-3) is a chemical compound with molecular formula C20H22N2S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-5-phenyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine
Also Known As: AE-848/42434904, 3-ethyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-c]pyridin-4-amine, 3-ethyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine, 3-ethyl-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-ylamine, 4-Ethyl-5-phenyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine
| Molecular Formula | C20H22N2S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 5.3768 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.15036 |
| Heavy Atoms | 23 |
| Complexity | 849.19934 |
Chemical Identifiers
| CAS Number | 825601-52-3 |
|---|---|
| SMILES | CCC1=C(C2=C(N=C1C3=CC=CC=C3)SC4=C2CCCCC4)N |
Product Overview
AE-848/42434904 (CAS 825601-52-3), with molecular formula C20H22N2S and molecular weight 322.15 g/mol. IUPAC: 4-ethyl-5-phenyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine.
Chemical Property Profile of AE-848/42434904
Property Insights of AE-848/42434904
The XLogP value of 5.3768 indicates that AE-848/42434904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, AE-848/42434904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42434904 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/42434904?
The CAS number of AE-848/42434904 is 825601-52-3.
What is the molecular formula of AE-848/42434904?
The molecular formula of AE-848/42434904 is C20H22N2S.
What is the molecular weight of AE-848/42434904?
The molecular weight of AE-848/42434904 is 322.15 g/mol.
Where can I buy AE-848/42434904?
You can request a quote for AE-848/42434904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42434904?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42434904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.