AE-848/15341051
TL;DR: AE-848/15341051 (CAS 351007-31-3) is a chemical compound with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Also Known As: AE-848/15341051, 3-(4-methylphenyl)-2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-methylphenyl)-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-methylphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
| Molecular Formula | C18H18N2OS2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.08606 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 351007-31-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCCC4 |
| InChIKey | CTBINQJVBZMRHK-UHFFFAOYSA-N |
Product Overview
AE-848/15341051 (CAS 351007-31-3), with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol. IUPAC: 4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one.
Chemical Property Profile of AE-848/15341051
Property Insights of AE-848/15341051
The XLogP value of 4.9 indicates that AE-848/15341051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/15341051. Following Lipinski's Rule of Five, AE-848/15341051 has 1 hydrogen bond donor(s) and 3 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-848/15341051?
The CAS number of AE-848/15341051 is 351007-31-3.
What is the molecular formula of AE-848/15341051?
The molecular formula of AE-848/15341051 is C18H18N2OS2.
What is the molecular weight of AE-848/15341051?
The molecular weight of AE-848/15341051 is 342.09 g/mol.
Where can I buy AE-848/15341051?
You can request a quote for AE-848/15341051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/15341051?
Yes, KEHONG BIO provides custom synthesis services for AE-848/15341051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.