NCI60_031433
TL;DR: NCI60_031433 (CAS 171880-49-2) is a chemical compound with molecular formula C15H17N5OS and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]-N-ethylacetamide
Also Known As: NCI60_031433, Acetamide, N-[1-[[2-(aminothioxomethyl)hydrazinylidene]methyl]-4-isoquinolinyl]-N-ethyl-, N-(1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-isoquinolinyl)-N-ethylacetamide, N-[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]-N-ethylacetamide
| Molecular Formula | C15H17N5OS |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 1.7747 |
| Topological Polar Surface Area | 83.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1154 |
| Heavy Atoms | 22 |
| Complexity | 743.7903 |
Chemical Identifiers
| CAS Number | 171880-49-2 |
|---|---|
| SMILES | CCN(C1=CN=C(C2=CC=CC=C21)C=NNC(=S)N)C(=O)C |
Product Overview
NCI60_031433 (CAS 171880-49-2), with molecular formula C15H17N5OS and molecular weight 315.12 g/mol. IUPAC: N-[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]-N-ethylacetamide.
Chemical Property Profile of NCI60_031433
Property Insights of NCI60_031433
The XLogP value of 1.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_031433. The TPSA of 83.61 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_031433. Following Lipinski's Rule of Five, NCI60_031433 has 2 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 NCI60_031433?
The CAS number of NCI60_031433 is 171880-49-2.
What is the molecular formula of NCI60_031433?
The molecular formula of NCI60_031433 is C15H17N5OS.
What is the molecular weight of NCI60_031433?
The molecular weight of NCI60_031433 is 315.12 g/mol.
Where can I buy NCI60_031433?
You can request a quote for NCI60_031433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_031433?
Yes, KEHONG BIO provides custom synthesis services for NCI60_031433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.