![methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/5329/532948-88-2.webp)
methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 532948-88-2) is a chemical compound with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate, (E)-methyl 2-(2-((5-cinnamamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, Methyl 2-[[2-[[5-(3-phenylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H18N4O4S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.7074 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.07693 |
| Heavy Atoms | 31 |
| Complexity | 1099.5239 |
Chemical Identifiers
| CAS Number | 532948-88-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 532948-88-2), with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol. IUPAC: methyl 2-[[2-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.7074 indicates that methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is 532948-88-2.
What is the molecular formula of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is C21H18N4O4S2.
What is the molecular weight of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate is 454.08 g/mol.
Where can I buy methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-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 methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.