![N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine structure](/static/products/385/385390-87-4.png)
N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine
TL;DR: N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine (CAS 385390-87-4) is a chemical compound with molecular formula C22H31N5S and molecular weight 397.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-[8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl]propane-1,3-diamine
Also Known As: N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine, N1-(5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N3,N3-dimethylpropane-1,3-diamine
| Molecular Formula | C22H31N5S |
|---|---|
| Molecular Weight | 397.23 g/mol |
| LogP | 4.6804 |
| Topological Polar Surface Area | 53.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.23 |
| Heavy Atoms | 28 |
| Complexity | 976.1175 |
Chemical Identifiers
| CAS Number | 385390-87-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCCN(C)C |
Product Overview
N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine (CAS 385390-87-4), with molecular formula C22H31N5S and molecular weight 397.23 g/mol. IUPAC: N',N'-dimethyl-N-[8-(2-methylpropyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl]propane-1,3-diamine.
Chemical Property Profile of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine
Property Insights of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine
The XLogP value of 4.6804 indicates that N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.94 Ų, N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine has 1 hydrogen bond donor(s) and 6 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 N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine?
The CAS number of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine is 385390-87-4.
What is the molecular formula of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine?
The molecular formula of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine is C22H31N5S.
What is the molecular weight of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine?
The molecular weight of N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine is 397.23 g/mol.
Where can I buy N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine?
You can request a quote for N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-N'-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.