AJ-292/40706569
TL;DR: AJ-292/40706569 (CAS 431073-56-2) is a chemical compound with molecular formula C22H24N2O3S2 and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-12,12-dimethyl-5-(2-methylprop-2-enylsulfanyl)-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-292/40706569, 3-(2-methoxyphenyl)-6,6-dimethyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-(2-methoxyphenyl)-6,6-dimethyl-2-((2-methylallyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(2-methoxyphenyl)-6,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 3-(2-methoxyphenyl)-6,6-dimethyl-2-[(2-methylprop-2-enyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H24N2O3S2 |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 4.9753 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.12283 |
| Heavy Atoms | 29 |
| Complexity | 1160.8092 |
Chemical Identifiers
| CAS Number | 431073-56-2 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4OC |
Product Overview
AJ-292/40706569 (CAS 431073-56-2), with molecular formula C22H24N2O3S2 and molecular weight 428.12 g/mol. IUPAC: 4-(2-methoxyphenyl)-12,12-dimethyl-5-(2-methylprop-2-enylsulfanyl)-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-292/40706569
Property Insights of AJ-292/40706569
The XLogP value of 4.9753 indicates that AJ-292/40706569 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, AJ-292/40706569 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40706569 has 0 hydrogen bond donor(s) and 6 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-292/40706569?
The CAS number of AJ-292/40706569 is 431073-56-2.
What is the molecular formula of AJ-292/40706569?
The molecular formula of AJ-292/40706569 is C22H24N2O3S2.
What is the molecular weight of AJ-292/40706569?
The molecular weight of AJ-292/40706569 is 428.12 g/mol.
Where can I buy AJ-292/40706569?
You can request a quote for AJ-292/40706569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706569?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.