2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide
TL;DR: 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide (CAS 903277-35-0) is a chemical compound with molecular formula C15H15N5OS and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-phenyl-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: F2563-0134, 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide, N-methyl-N-phenyl-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-methyl-N-phenyl-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C15H15N5OS |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.1461 |
| Topological Polar Surface Area | 55.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09973 |
| Heavy Atoms | 22 |
| Complexity | 738.4057 |
Chemical Identifiers
| CAS Number | 903277-35-0 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CSC2=NN=CN2N3C=CC=C3 |
Product Overview
2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide (CAS 903277-35-0), with molecular formula C15H15N5OS and molecular weight 313.10 g/mol. IUPAC: N-methyl-N-phenyl-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide
Property Insights of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide
The XLogP value of 2.1461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide. With a topological polar surface area (TPSA) of 55.95 Ų, 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-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 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide?
The CAS number of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide is 903277-35-0.
What is the molecular formula of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide?
The molecular formula of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide is C15H15N5OS.
What is the molecular weight of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide?
The molecular weight of 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide is 313.10 g/mol.
Where can I buy 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide?
You can request a quote for 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.