![2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide structure](/static/products/877/877815-91-3.png)
2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
TL;DR: 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide (CAS 877815-91-3) is a chemical compound with molecular formula C18H21N5OS and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide, F2563-0573, 2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide, N-isopropyl-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
| Molecular Formula | C18H21N5OS |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 3.23312 |
| Topological Polar Surface Area | 55.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.14667 |
| Heavy Atoms | 25 |
| Complexity | 826.5407 |
Chemical Identifiers
| CAS Number | 877815-91-3 |
|---|---|
| SMILES | CC1=NN=C(N1N2C=CC=C2)SCC(=O)N(C3=CC=CC=C3)C(C)C |
Product Overview
2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide (CAS 877815-91-3), with molecular formula C18H21N5OS and molecular weight 355.15 g/mol. IUPAC: 2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Property Insights of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
The XLogP value of 3.23312 indicates that 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.95 Ų, 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide 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-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide?
The CAS number of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide is 877815-91-3.
What is the molecular formula of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide?
The molecular formula of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide is C18H21N5OS.
What is the molecular weight of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide?
The molecular weight of 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide is 355.15 g/mol.
Where can I buy 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide?
You can request a quote for 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.