![ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate structure](/static/products/3104/310449-22-0.webp)
ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
TL;DR: ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-22-0) is a chemical compound with molecular formula C32H34N6O7S2 and molecular weight 678.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, F0721-0833, ethyl 4-(2-((4-(2-methoxyphenyl)-5-((4-(pyrrolidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C32H34N6O7S2 |
|---|---|
| Molecular Weight | 678.19 g/mol |
| LogP | 3.8979 |
| Topological Polar Surface Area | 161.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 678.19305 |
| Heavy Atoms | 47 |
| Complexity | 1838.4028 |
Chemical Identifiers
| CAS Number | 310449-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-22-0), with molecular formula C32H34N6O7S2 and molecular weight 678.19 g/mol. IUPAC: ethyl 4-[[2-[[4-(2-methoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Property Insights of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
The XLogP value of 3.8979 indicates that ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.82 Ų indicates high polarity, suggesting ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The CAS number of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 310449-22-0.
What is the molecular formula of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular formula of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is C32H34N6O7S2.
What is the molecular weight of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular weight of ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 678.19 g/mol.
Where can I buy ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
You can request a quote for ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-{[4-(2-methoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.