AJ-292/13049037
TL;DR: AJ-292/13049037 (CAS 351008-54-3) is a chemical compound with molecular formula C28H31N3OS2 and molecular weight 489.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/13049037, 7-benzyl-2-(isopentylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 11-Benzyl-5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 7-benzyl-2-(3-methylbutylsulfanyl)-3-(4-methylphenyl)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one, 7-benzyl-2-(isopentylthio)-3-(p-tolyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C28H31N3OS2 |
|---|---|
| Molecular Weight | 489.19 g/mol |
| LogP | 6.45212 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.19086 |
| Heavy Atoms | 34 |
| Complexity | 1340.3367 |
Chemical Identifiers
| CAS Number | 351008-54-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(C)C)SC4=C3CCN(C4)CC5=CC=CC=C5 |
Product Overview
AJ-292/13049037 (CAS 351008-54-3), with molecular formula C28H31N3OS2 and molecular weight 489.19 g/mol. IUPAC: 11-benzyl-5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-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-292/13049037
Property Insights of AJ-292/13049037
The XLogP value of 6.45212 indicates that AJ-292/13049037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, AJ-292/13049037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13049037 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-292/13049037?
The CAS number of AJ-292/13049037 is 351008-54-3.
What is the molecular formula of AJ-292/13049037?
The molecular formula of AJ-292/13049037 is C28H31N3OS2.
What is the molecular weight of AJ-292/13049037?
The molecular weight of AJ-292/13049037 is 489.19 g/mol.
Where can I buy AJ-292/13049037?
You can request a quote for AJ-292/13049037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13049037?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13049037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.