![4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide structure](/static/products/825/825599-17-5.png)
4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
TL;DR: 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide (CAS 825599-17-5) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-(2-((4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-{2-[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetylamino}benza mide, 4-(2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 2.8728 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1018.8809 |
Chemical Identifiers
| CAS Number | 825599-17-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)COC3=CC=CC=C3 |
Product Overview
4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide (CAS 825599-17-5), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: 4-[[2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
Property Insights of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
The XLogP value of 2.8728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide. Following Lipinski's Rule of Five, 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]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 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide?
The CAS number of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide is 825599-17-5.
What is the molecular formula of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide?
The molecular formula of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide is C21H21N5O3S.
What is the molecular weight of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide?
The molecular weight of 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide is 423.14 g/mol.
Where can I buy 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide?
You can request a quote for 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.