5-Amino-1-formylisoquinoline thiosemicarbazone
TL;DR: 5-Amino-1-formylisoquinoline thiosemicarbazone (CAS 20335-57-3) is a chemical compound with molecular formula C11H11N5S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-aminoisoquinolin-1-yl)methylideneamino]thiourea
Also Known As: 5-Amino-1-formylisoquinoline thiosemicarbazone, [(5-aminoisoquinolin-1-yl)methylideneamino]thiourea, Isoquinaldaldehyde, 5-amino-, thiosemicarbazone, Hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-, Hydrazinecarbothioamide, 2-((5-amino-1-isoquinolinyl)methylene)-
| Molecular Formula | C11H11N5S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 0.9841 |
| Topological Polar Surface Area | 89.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.07352 |
| Heavy Atoms | 17 |
| Complexity | 593.4315 |
Chemical Identifiers
| CAS Number | 20335-57-3 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)N |
Product Overview
5-Amino-1-formylisoquinoline thiosemicarbazone (CAS 20335-57-3), with molecular formula C11H11N5S and molecular weight 245.07 g/mol. IUPAC: [(5-aminoisoquinolin-1-yl)methylideneamino]thiourea.
Chemical Property Profile of 5-Amino-1-formylisoquinoline thiosemicarbazone
Property Insights of 5-Amino-1-formylisoquinoline thiosemicarbazone
The XLogP value of 0.9841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-formylisoquinoline thiosemicarbazone. The TPSA of 89.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-formylisoquinoline thiosemicarbazone. Following Lipinski's Rule of Five, 5-Amino-1-formylisoquinoline 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 5-Amino-1-formylisoquinoline thiosemicarbazone?
The CAS number of 5-Amino-1-formylisoquinoline thiosemicarbazone is 20335-57-3.
What is the molecular formula of 5-Amino-1-formylisoquinoline thiosemicarbazone?
The molecular formula of 5-Amino-1-formylisoquinoline thiosemicarbazone is C11H11N5S.
What is the molecular weight of 5-Amino-1-formylisoquinoline thiosemicarbazone?
The molecular weight of 5-Amino-1-formylisoquinoline thiosemicarbazone is 245.07 g/mol.
Where can I buy 5-Amino-1-formylisoquinoline thiosemicarbazone?
You can request a quote for 5-Amino-1-formylisoquinoline thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1-formylisoquinoline thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-formylisoquinoline thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.