![2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide structure](/static/products/5383/538337-29-0.webp)
2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
TL;DR: 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide (CAS 538337-29-0) is a chemical compound with molecular formula C24H28ClN5OS and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide, 2-((4-Allyl-5-(((3-chloro-2-methylphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-((4-Allyl-5-((3-chloro-2-methylanilino)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-isopropyl-N-phenylacetamide, 2-(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-yl thio))-N-(methylethyl)-N-phenylacetamide, 2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
| Molecular Formula | C24H28ClN5OS |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 5.57172 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.17032 |
| Heavy Atoms | 32 |
| Complexity | 1067.5065 |
Chemical Identifiers
| CAS Number | 538337-29-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NCC2=NN=C(N2CC=C)SCC(=O)N(C3=CC=CC=C3)C(C)C |
Product Overview
2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide (CAS 538337-29-0), with molecular formula C24H28ClN5OS and molecular weight 469.17 g/mol. IUPAC: 2-[[5-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
Property Insights of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
The XLogP value of 5.57172 indicates that 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide has 1 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-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide?
The CAS number of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide is 538337-29-0.
What is the molecular formula of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide?
The molecular formula of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide is C24H28ClN5OS.
What is the molecular weight of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide?
The molecular weight of 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide is 469.17 g/mol.
Where can I buy 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide?
You can request a quote for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide 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-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(3-chloro-2-methylanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.