![2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide structure](/static/products/5404/540498-40-6.webp)
2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
TL;DR: 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide (CAS 540498-40-6) is a chemical compound with molecular formula C21H20Cl3N5OS and molecular weight 495.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-ALLYL-5-((3,4-DICHLOROANILINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 646-333-0, N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H20Cl3N5OS |
|---|---|
| Molecular Weight | 495.05 g/mol |
| LogP | 6.07562 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.0454 |
| Heavy Atoms | 31 |
| Complexity | 1102.6144 |
Chemical Identifiers
| CAS Number | 540498-40-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide (CAS 540498-40-6), with molecular formula C21H20Cl3N5OS and molecular weight 495.05 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Property Insights of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
The XLogP value of 6.07562 indicates that 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The CAS number of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide is 540498-40-6.
What is the molecular formula of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The molecular formula of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide is C21H20Cl3N5OS.
What is the molecular weight of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
The molecular weight of 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide is 495.05 g/mol.
Where can I buy 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
You can request a quote for 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.