4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone
TL;DR: 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone (CAS 59261-39-1) is a chemical compound with molecular formula C12H13N5S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea
Also Known As: MAIQ, Maiq 1, NCI60_001967, 4-Methyl-5-aminoisoquinoline thiosemicarbazone, 4-Methyl-5-amino-1-formylisoquinoline thiosemicarbazone
| Molecular Formula | C12H13N5S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 1.29252 |
| Topological Polar Surface Area | 89.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.08917 |
| Heavy Atoms | 18 |
| Complexity | 627.3955 |
Chemical Identifiers
| CAS Number | 59261-39-1 |
|---|---|
| SMILES | CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N |
Product Overview
4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone (CAS 59261-39-1), with molecular formula C12H13N5S and molecular weight 259.09 g/mol. IUPAC: [(5-amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea.
Chemical Property Profile of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone
Property Insights of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone
The XLogP value of 1.29252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone. The TPSA of 89.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone has 3 hydrogen bond donor(s) and 4 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 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone?
The CAS number of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone is 59261-39-1.
What is the molecular formula of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone?
The molecular formula of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone is C12H13N5S.
What is the molecular weight of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone?
The molecular weight of 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone is 259.09 g/mol.
Where can I buy 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone?
You can request a quote for 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-amino isoquinoline-1-carboxaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.