![4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide structure](/static/products/3514/351419-58-4.webp)
4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
TL;DR: 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide (CAS 351419-58-4) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide, AN-329/40675095, 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide, 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-keto-3-methyl-3-pyrazoline-1-carbothioamide, 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 1.38038 |
| Topological Polar Surface Area | 120.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 884.5197 |
Chemical Identifiers
| CAS Number | 351419-58-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)C(C2=CC=C(C=C2)OC)C(C#N)C#N |
Product Overview
4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide (CAS 351419-58-4), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
Property Insights of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
The XLogP value of 1.38038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide. The TPSA of 120.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide 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 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide?
The CAS number of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide is 351419-58-4.
What is the molecular formula of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide?
The molecular formula of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide is C16H15N5O2S.
What is the molecular weight of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide?
The molecular weight of 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide is 341.09 g/mol.
Where can I buy 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide?
You can request a quote for 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2,2-dicyano-1-(4-methoxyphenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.