AJ-292/11386001
TL;DR: AJ-292/11386001 (CAS 312536-19-9) is a chemical compound with molecular formula C24H22N4OS2 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone
Also Known As: AJ-292/11386001, A2040/0085761, 2-[(4-amino-7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone, 2-((4-amino-7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-phenylethanone, 2-[(4-amino-7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone
| Molecular Formula | C24H22N4OS2 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.8068 |
| Topological Polar Surface Area | 72.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1235 |
| Heavy Atoms | 31 |
| Complexity | 1224.8069 |
Chemical Identifiers
| CAS Number | 312536-19-9 |
|---|---|
| SMILES | C1CN(CC2=C1C3=C(N=C(N=C3S2)SCC(=O)C4=CC=CC=C4)N)CC5=CC=CC=C5 |
Product Overview
AJ-292/11386001 (CAS 312536-19-9), with molecular formula C24H22N4OS2 and molecular weight 446.12 g/mol. IUPAC: 2-[(3-amino-11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of AJ-292/11386001
Property Insights of AJ-292/11386001
The XLogP value of 4.8068 indicates that AJ-292/11386001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/11386001. Following Lipinski's Rule of Five, AJ-292/11386001 has 1 hydrogen bond donor(s) and 7 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-292/11386001?
The CAS number of AJ-292/11386001 is 312536-19-9.
What is the molecular formula of AJ-292/11386001?
The molecular formula of AJ-292/11386001 is C24H22N4OS2.
What is the molecular weight of AJ-292/11386001?
The molecular weight of AJ-292/11386001 is 446.12 g/mol.
Where can I buy AJ-292/11386001?
You can request a quote for AJ-292/11386001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/11386001?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/11386001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.