AJ-292/40706557
TL;DR: AJ-292/40706557 (CAS 431890-50-5) is a chemical compound with molecular formula C22H26N2O3S2 and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylsulfanyl-4-(2-methoxyphenyl)-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-292/40706557, 2-(butylsulfanyl)-3-(2-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(butylthio)-3-(2-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-butylsulfanyl-3-(2-methoxyphenyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C22H26N2O3S2 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 5.1993 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1385 |
| Heavy Atoms | 29 |
| Complexity | 1101.3658 |
Chemical Identifiers
| CAS Number | 431890-50-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4OC |
Product Overview
AJ-292/40706557 (CAS 431890-50-5), with molecular formula C22H26N2O3S2 and molecular weight 430.14 g/mol. IUPAC: 5-butylsulfanyl-4-(2-methoxyphenyl)-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-292/40706557
Property Insights of AJ-292/40706557
The XLogP value of 5.1993 indicates that AJ-292/40706557 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-292/40706557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40706557 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/40706557?
The CAS number of AJ-292/40706557 is 431890-50-5.
What is the molecular formula of AJ-292/40706557?
The molecular formula of AJ-292/40706557 is C22H26N2O3S2.
What is the molecular weight of AJ-292/40706557?
The molecular weight of AJ-292/40706557 is 430.14 g/mol.
Where can I buy AJ-292/40706557?
You can request a quote for AJ-292/40706557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706557?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.