Hck-IN-1
TL;DR: Hck-IN-1 (CAS 332420-75-4) is a chemical compound with molecular formula C16H11ClN6O3S and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: Hck-IN-1, Nef antagonist B9, Nef-IN-B9, PubChem SID: 24784551, (E)-4-((3-Chlorophenyl)diazenyl)-5-hydroxy-3-(4-nitrophenyl)-1H-pyrazole-1-carbothioamide
| Molecular Formula | C16H11ClN6O3S |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 3.9121 |
| Topological Polar Surface Area | 131.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.03018 |
| Heavy Atoms | 27 |
| Complexity | 1119.9294 |
Chemical Identifiers
| CAS Number | 332420-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Hck-IN-1 (CAS 332420-75-4), with molecular formula C16H11ClN6O3S and molecular weight 402.03 g/mol. IUPAC: 4-[(3-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of Hck-IN-1
Property Insights of Hck-IN-1
The XLogP value of 3.9121 indicates that Hck-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Hck-IN-1. Following Lipinski's Rule of Five, Hck-IN-1 has 2 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 Hck-IN-1?
The CAS number of Hck-IN-1 is 332420-75-4.
What is the molecular formula of Hck-IN-1?
The molecular formula of Hck-IN-1 is C16H11ClN6O3S.
What is the molecular weight of Hck-IN-1?
The molecular weight of Hck-IN-1 is 402.03 g/mol.
Where can I buy Hck-IN-1?
You can request a quote for Hck-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hck-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Hck-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.