AJ-292/12415046
TL;DR: AJ-292/12415046 (CAS 352657-40-0) is a chemical compound with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(2-methylprop-2-enyl)-10-phenacylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: AJ-292/12415046, 11-(2-Methylprop-2-enyl)-10-phenacylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-(2-methylprop-2-enyl)-3-phenacylsulfanyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one, 3-(2-methyl-2-propenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(2-methylallyl)-2-((2-oxo-2-phenylethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C21H20N2O2S2 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 4.4978 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.09662 |
| Heavy Atoms | 27 |
| Complexity | 1096.8074 |
Chemical Identifiers
| CAS Number | 352657-40-0 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
AJ-292/12415046 (CAS 352657-40-0), with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol. IUPAC: 11-(2-methylprop-2-enyl)-10-phenacylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of AJ-292/12415046
Property Insights of AJ-292/12415046
The XLogP value of 4.4978 indicates that AJ-292/12415046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AJ-292/12415046 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12415046 has 0 hydrogen bond donor(s) and 5 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 AJ-292/12415046?
The CAS number of AJ-292/12415046 is 352657-40-0.
What is the molecular formula of AJ-292/12415046?
The molecular formula of AJ-292/12415046 is C21H20N2O2S2.
What is the molecular weight of AJ-292/12415046?
The molecular weight of AJ-292/12415046 is 396.10 g/mol.
Where can I buy AJ-292/12415046?
You can request a quote for AJ-292/12415046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12415046?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12415046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.