![2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide structure](/static/products/4452/445253-39-4.webp)
2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
TL;DR: 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide (CAS 445253-39-4) is a chemical compound with molecular formula C20H18Cl2IN5OS and molecular weight 572.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide, N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,5-dichlorophenyl)-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H18Cl2IN5OS |
|---|---|
| Molecular Weight | 572.97 g/mol |
| LogP | 5.7184 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 572.9654 |
| Heavy Atoms | 30 |
| Complexity | 1042.1761 |
Chemical Identifiers
| CAS Number | 445253-39-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl)CNC3=CC=C(C=C3)I |
Product Overview
2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide (CAS 445253-39-4), with molecular formula C20H18Cl2IN5OS and molecular weight 572.97 g/mol. IUPAC: N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Property Insights of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
The XLogP value of 5.7184 indicates that 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The CAS number of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide is 445253-39-4.
What is the molecular formula of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The molecular formula of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide is C20H18Cl2IN5OS.
What is the molecular weight of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide?
The molecular weight of 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide is 572.97 g/mol.
Where can I buy 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide?
You can request a quote for 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.