AJ-292/13047041
TL;DR: AJ-292/13047041 (CAS 351440-74-9) is a chemical compound with molecular formula C25H24N2O2S2 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AJ-292/13047041, 3-benzyl-2-[(2-phenoxyethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-((2-phenoxyethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H24N2O2S2 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 5.5562 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.12793 |
| Heavy Atoms | 31 |
| Complexity | 1233.3546 |
Chemical Identifiers
| CAS Number | 351440-74-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)SCCOC5=CC=CC=C5 |
Product Overview
AJ-292/13047041 (CAS 351440-74-9), with molecular formula C25H24N2O2S2 and molecular weight 448.13 g/mol. IUPAC: 3-benzyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AJ-292/13047041
Property Insights of AJ-292/13047041
The XLogP value of 5.5562 indicates that AJ-292/13047041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AJ-292/13047041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13047041 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13047041?
The CAS number of AJ-292/13047041 is 351440-74-9.
What is the molecular formula of AJ-292/13047041?
The molecular formula of AJ-292/13047041 is C25H24N2O2S2.
What is the molecular weight of AJ-292/13047041?
The molecular weight of AJ-292/13047041 is 448.13 g/mol.
Where can I buy AJ-292/13047041?
You can request a quote for AJ-292/13047041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13047041?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13047041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.