AJ-292/12515803
TL;DR: AJ-292/12515803 (CAS 356587-53-6) is a chemical compound with molecular formula C25H22Cl2N2O2S2 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-4-phenyl-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-292/12515803, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-6-methyl-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 5-[(3,4-Dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 2-((3,4-dichlorobenzyl)thio)-6-ethyl-6-methyl-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C25H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 7.2877 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.05 |
| Heavy Atoms | 33 |
| Complexity | 1401.297 |
Chemical Identifiers
| CAS Number | 356587-53-6 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5)C |
Product Overview
AJ-292/12515803 (CAS 356587-53-6), with molecular formula C25H22Cl2N2O2S2 and molecular weight 516.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-4-phenyl-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-292/12515803
Property Insights of AJ-292/12515803
The XLogP value of 7.2877 indicates that AJ-292/12515803 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-292/12515803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12515803 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-292/12515803?
The CAS number of AJ-292/12515803 is 356587-53-6.
What is the molecular formula of AJ-292/12515803?
The molecular formula of AJ-292/12515803 is C25H22Cl2N2O2S2.
What is the molecular weight of AJ-292/12515803?
The molecular weight of AJ-292/12515803 is 516.05 g/mol.
Where can I buy AJ-292/12515803?
You can request a quote for AJ-292/12515803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12515803?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12515803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.