![2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide structure](/static/products/5369/536983-83-2.webp)
2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
TL;DR: 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536983-83-2) is a chemical compound with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, F0576-0536, 2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-(benzylthio)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 3.2528 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1141.1083 |
Chemical Identifiers
| CAS Number | 536983-83-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3)N1)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N |
Product Overview
2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536983-83-2), with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol. IUPAC: 2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Property Insights of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
The XLogP value of 3.2528 indicates that 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 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 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The CAS number of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 536983-83-2.
What is the molecular formula of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular formula of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C20H18N6O3S.
What is the molecular weight of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular weight of 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 422.12 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
You can request a quote for 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.