N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
TL;DR: N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 896291-58-0) is a chemical compound with molecular formula C16H17N5OS and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Also Known As: N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, N-methyl-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide, N-methyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide, N-methyl-N-phenyl[5-methyl-4-(1-pyrrolyl)-4H-1,2,4-triazol-3-ylthio]acetamide
| Molecular Formula | C16H17N5OS |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.45452 |
| Topological Polar Surface Area | 55.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1154 |
| Heavy Atoms | 23 |
| Complexity | 782.1757 |
Chemical Identifiers
| CAS Number | 896291-58-0 |
|---|---|
| SMILES | CC1=NN=C(N1N2C=CC=C2)SCC(=O)N(C)C3=CC=CC=C3 |
Product Overview
N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 896291-58-0), with molecular formula C16H17N5OS and molecular weight 327.12 g/mol. IUPAC: N-methyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
Property Insights of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
The XLogP value of 2.45452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide. With a topological polar surface area (TPSA) of 55.95 Ų, N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide has 0 hydrogen bond donor(s) and 4 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 N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The CAS number of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 896291-58-0.
What is the molecular formula of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular formula of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is C16H17N5OS.
What is the molecular weight of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular weight of N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 327.12 g/mol.
Where can I buy N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
You can request a quote for N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.