AJ-292/40884659
TL;DR: AJ-292/40884659 (CAS 306966-15-4) is a chemical compound with molecular formula C26H25BrN2O2S2 and molecular weight 540.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/40884659, 2-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(4-bromophenyl)methylsulfanyl]-6,6-dimethyl-3-(2-phenylethyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 5-[(4-Bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 2-((4-bromobenzyl)thio)-6,6-dimethyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C26H25BrN2O2S2 |
|---|---|
| Molecular Weight | 540.05 g/mol |
| LogP | 6.6068 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.0541 |
| Heavy Atoms | 33 |
| Complexity | 1344.9773 |
Chemical Identifiers
| CAS Number | 306966-15-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)CCC5=CC=CC=C5)C |
Product Overview
AJ-292/40884659 (CAS 306966-15-4), with molecular formula C26H25BrN2O2S2 and molecular weight 540.05 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AJ-292/40884659
Property Insights of AJ-292/40884659
The XLogP value of 6.6068 indicates that AJ-292/40884659 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-292/40884659 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40884659 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-292/40884659?
The CAS number of AJ-292/40884659 is 306966-15-4.
What is the molecular formula of AJ-292/40884659?
The molecular formula of AJ-292/40884659 is C26H25BrN2O2S2.
What is the molecular weight of AJ-292/40884659?
The molecular weight of AJ-292/40884659 is 540.05 g/mol.
Where can I buy AJ-292/40884659?
You can request a quote for AJ-292/40884659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40884659?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40884659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.