![5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine structure](/static/products/861/861209-32-7.png)
5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
TL;DR: 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine (CAS 861209-32-7) is a chemical compound with molecular formula C20H18N4S and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methylphenyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
Also Known As: 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine, 8-(4-methylphenyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine, 8-(4-methylphenyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
| Molecular Formula | C20H18N4S |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 4.67592 |
| Topological Polar Surface Area | 64.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.1252 |
| Heavy Atoms | 25 |
| Complexity | 1112.407 |
Chemical Identifiers
| CAS Number | 861209-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C4=C2CCCC4)C5=C(S3)C(=NC=N5)N |
Product Overview
5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine (CAS 861209-32-7), with molecular formula C20H18N4S and molecular weight 346.13 g/mol. IUPAC: 8-(4-methylphenyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine.
Chemical Property Profile of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Property Insights of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
The XLogP value of 4.67592 indicates that 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine has 1 hydrogen bond donor(s) and 5 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 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine?
The CAS number of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine is 861209-32-7.
What is the molecular formula of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine?
The molecular formula of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine is C20H18N4S.
What is the molecular weight of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine?
The molecular weight of 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine is 346.13 g/mol.
Where can I buy 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine?
You can request a quote for 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.