![N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide structure](/static/products/3918/391888-47-4.webp)
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
TL;DR: N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide (CAS 391888-47-4) is a chemical compound with molecular formula C22H25N5O4S2 and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
Also Known As: N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide, N-((4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide, N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
| Molecular Formula | C22H25N5O4S2 |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 3.04309 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.1348 |
| Heavy Atoms | 33 |
| Complexity | 1292.8204 |
Chemical Identifiers
| CAS Number | 391888-47-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 |
Product Overview
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide (CAS 391888-47-4), with molecular formula C22H25N5O4S2 and molecular weight 487.13 g/mol. IUPAC: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Property Insights of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
The XLogP value of 3.04309 indicates that N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide. Following Lipinski's Rule of Five, N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide has 2 hydrogen bond donor(s) and 6 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-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide?
The CAS number of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide is 391888-47-4.
What is the molecular formula of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide?
The molecular formula of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide is C22H25N5O4S2.
What is the molecular weight of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide?
The molecular weight of N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide is 487.13 g/mol.
Where can I buy N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide?
You can request a quote for N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.