AJ-292/13093111
TL;DR: AJ-292/13093111 (CAS 352657-93-3) is a chemical compound with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/13093111, 11-Benzyl-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 7-benzyl-3-(4-methoxyphenyl)-2-(2-methylprop-2-enylsulfanyl)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one, 7-benzyl-3-(4-methoxyphenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-benzyl-3-(4-methoxyphenyl)-2-((2-methylallyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C27H27N3O2S2 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.6823 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.15448 |
| Heavy Atoms | 34 |
| Complexity | 1391.6653 |
Chemical Identifiers
| CAS Number | 352657-93-3 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=C(C=C5)OC |
Product Overview
AJ-292/13093111 (CAS 352657-93-3), with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol. IUPAC: 11-benzyl-4-(4-methoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AJ-292/13093111
Property Insights of AJ-292/13093111
The XLogP value of 5.6823 indicates that AJ-292/13093111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, AJ-292/13093111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13093111 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-292/13093111?
The CAS number of AJ-292/13093111 is 352657-93-3.
What is the molecular formula of AJ-292/13093111?
The molecular formula of AJ-292/13093111 is C27H27N3O2S2.
What is the molecular weight of AJ-292/13093111?
The molecular weight of AJ-292/13093111 is 489.15 g/mol.
Where can I buy AJ-292/13093111?
You can request a quote for AJ-292/13093111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13093111?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13093111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.