![ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate structure](/static/products/3922/392292-99-8.webp)
ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
TL;DR: ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate (CAS 392292-99-8) is a chemical compound with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate, F0417-0253, Ethyl 4-[[2-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((5-pentanamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C18H22N4O4S2 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.5743 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.10825 |
| Heavy Atoms | 28 |
| Complexity | 808.1719 |
Chemical Identifiers
| CAS Number | 392292-99-8 |
|---|---|
| SMILES | CCCCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC |
Product Overview
ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate (CAS 392292-99-8), with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol. IUPAC: ethyl 4-[[2-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
Property Insights of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
The XLogP value of 3.5743 indicates that ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}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 ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate. Following Lipinski's Rule of Five, ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}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 ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate?
The CAS number of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate is 392292-99-8.
What is the molecular formula of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate?
The molecular formula of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate is C18H22N4O4S2.
What is the molecular weight of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate?
The molecular weight of ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate is 422.11 g/mol.
Where can I buy ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate?
You can request a quote for ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-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-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{2-[(5-pentanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.