![methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate structure](/static/products/354/354555-06-9.png)
methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
TL;DR: methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate (CAS 354555-06-9) is a chemical compound with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[6-amino-5-cyano-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Also Known As: methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate, methyl 4-(6-amino-5-cyano-3-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate, methyl 4-[6-amino-5-cyano-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
| Molecular Formula | C23H20N4O3S |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 4.0152 |
| Topological Polar Surface Area | 114.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1256 |
| Heavy Atoms | 31 |
| Complexity | 1191.0547 |
Chemical Identifiers
| CAS Number | 354555-06-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate (CAS 354555-06-9), with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol. IUPAC: methyl 4-[6-amino-5-cyano-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate.
Chemical Property Profile of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
Property Insights of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
The XLogP value of 4.0152 indicates that methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate has 2 hydrogen bond donor(s) and 7 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 methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate?
The CAS number of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate is 354555-06-9.
What is the molecular formula of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate?
The molecular formula of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate is C23H20N4O3S.
What is the molecular weight of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate?
The molecular weight of methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate is 432.13 g/mol.
Where can I buy methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate?
You can request a quote for methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(6-amino-5-cyano-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.