AJ-292/12676566
TL;DR: AJ-292/12676566 (CAS 351007-85-7) is a chemical compound with molecular formula C20H20Cl2N2O2S2 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-12,12-dimethyl-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-292/12676566, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-ethyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-((3,4-dichlorobenzyl)thio)-3-ethyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-ethyl-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C20H20Cl2N2O2S2 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | 5.9283 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.03433 |
| Heavy Atoms | 28 |
| Complexity | 1121.5717 |
Chemical Identifiers
| CAS Number | 351007-85-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CC(OC4)(C)C |
Product Overview
AJ-292/12676566 (CAS 351007-85-7), with molecular formula C20H20Cl2N2O2S2 and molecular weight 454.03 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-12,12-dimethyl-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-292/12676566
Property Insights of AJ-292/12676566
The XLogP value of 5.9283 indicates that AJ-292/12676566 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-292/12676566 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12676566 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-292/12676566?
The CAS number of AJ-292/12676566 is 351007-85-7.
What is the molecular formula of AJ-292/12676566?
The molecular formula of AJ-292/12676566 is C20H20Cl2N2O2S2.
What is the molecular weight of AJ-292/12676566?
The molecular weight of AJ-292/12676566 is 454.03 g/mol.
Where can I buy AJ-292/12676566?
You can request a quote for AJ-292/12676566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12676566?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12676566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.