![propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7012/701275-90-3.webp)
propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 701275-90-3) is a chemical compound with molecular formula C24H25Cl2N5O4S and molecular weight 549.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, isopropyl 3-(2-((5-(2-((3,4-dichlorophenyl)amino)-2-oxoethyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, propan-2-yl 3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C24H25Cl2N5O4S |
|---|---|
| Molecular Weight | 549.10 g/mol |
| LogP | 5.082 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.1004 |
| Heavy Atoms | 36 |
| Complexity | 1265.054 |
Chemical Identifiers
| CAS Number | 701275-90-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 701275-90-3), with molecular formula C24H25Cl2N5O4S and molecular weight 549.10 g/mol. IUPAC: propan-2-yl 3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 5.082 indicates that propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 701275-90-3.
What is the molecular formula of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C24H25Cl2N5O4S.
What is the molecular weight of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 549.10 g/mol.
Where can I buy propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 3-({[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.