AE-848/15341014
TL;DR: AE-848/15341014 (CAS 351159-98-3) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-5-prop-2-enylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: AE-848/15341014, 2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-methylphenyl)-2-prop-2-enylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 4-(4-Methylphenyl)-5-prop-2-enylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 2-(allylthio)-3-(p-tolyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 5.30262 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1015.15247 |
Chemical Identifiers
| CAS Number | 351159-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC=C)SC4=C3CCCCC4 |
Product Overview
AE-848/15341014 (CAS 351159-98-3), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 4-(4-methylphenyl)-5-prop-2-enylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AE-848/15341014
Property Insights of AE-848/15341014
The XLogP value of 5.30262 indicates that AE-848/15341014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, AE-848/15341014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/15341014 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/15341014?
The CAS number of AE-848/15341014 is 351159-98-3.
What is the molecular formula of AE-848/15341014?
The molecular formula of AE-848/15341014 is C21H22N2OS2.
What is the molecular weight of AE-848/15341014?
The molecular weight of AE-848/15341014 is 382.12 g/mol.
Where can I buy AE-848/15341014?
You can request a quote for AE-848/15341014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/15341014?
Yes, KEHONG BIO provides custom synthesis services for AE-848/15341014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.