![[5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate structure](/static/products/7080/70803-16-6.webp)
[5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
TL;DR: [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate (CAS 70803-16-6) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
Also Known As: [5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate|[5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thioc|5-(2-Hydroxybenzamido)-1,3-dimethyl-1H-pyrazol-4-yl thiocyanate
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 70803-16-6 |
|---|---|
| SMILES | CC1=NN(C(=C1SC#N)NC(=O)C2=CC=CC=C2O)C |
| InChIKey | SWVBMITVYINVKV-UHFFFAOYSA-N |
Product Overview
[5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate (CAS 70803-16-6), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: [5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate.
Chemical Property Profile of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
Property Insights of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate. Following Lipinski's Rule of Five, [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate has 2 hydrogen bond donor(s) and 5 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-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate?
The CAS number of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate is 70803-16-6.
What is the molecular formula of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate?
The molecular formula of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate is C13H12N4O2S.
What is the molecular weight of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate?
The molecular weight of [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate is 288.07 g/mol.
Where can I buy [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate?
You can request a quote for [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.