AJ-292/40706563
TL;DR: AJ-292/40706563 (CAS 664967-71-9) is a chemical compound with molecular formula C29H26N2O3S2 and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-12,12-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-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-292/40706563, 3-(4-methoxyphenyl)-6,6-dimethyl-2-[(1-naphthylmethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-methoxyphenyl)-6,6-dimethyl-2-((naphthalen-1-ylmethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(4-methoxyphenyl)-6,6-dimethyl-2-[(naphthalen-1-ylmethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 4-(4-methoxyphenyl)-12,12-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C29H26N2O3S2 |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 6.7526 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.1385 |
| Heavy Atoms | 36 |
| Complexity | 1646.5873 |
Chemical Identifiers
| CAS Number | 664967-71-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)OC)C |
Product Overview
AJ-292/40706563 (CAS 664967-71-9), with molecular formula C29H26N2O3S2 and molecular weight 514.14 g/mol. IUPAC: 4-(4-methoxyphenyl)-12,12-dimethyl-5-(naphthalen-1-ylmethylsulfanyl)-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-292/40706563
Property Insights of AJ-292/40706563
The XLogP value of 6.7526 indicates that AJ-292/40706563 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-292/40706563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40706563 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-292/40706563?
The CAS number of AJ-292/40706563 is 664967-71-9.
What is the molecular formula of AJ-292/40706563?
The molecular formula of AJ-292/40706563 is C29H26N2O3S2.
What is the molecular weight of AJ-292/40706563?
The molecular weight of AJ-292/40706563 is 514.14 g/mol.
Where can I buy AJ-292/40706563?
You can request a quote for AJ-292/40706563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706563?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.