![ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/3938/393806-41-2.webp)
ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393806-41-2) is a chemical compound with molecular formula C24H29N5O5S2 and molecular weight 531.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, F0520-1312, ethyl 2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-((4-butyl-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-{[({4-butyl-5-[(2-furoylamino)methyl]-4H-1,2,4-triazol-3-yl}thio)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C24H29N5O5S2 |
|---|---|
| Molecular Weight | 531.16 g/mol |
| LogP | 4.0589 |
| Topological Polar Surface Area | 128.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 531.161 |
| Heavy Atoms | 36 |
| Complexity | 1218.0573 |
Chemical Identifiers
| CAS Number | 393806-41-2 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)C4=CC=CO4 |
Product Overview
ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393806-41-2), with molecular formula C24H29N5O5S2 and molecular weight 531.16 g/mol. IUPAC: ethyl 2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 4.0589 indicates that ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 393806-41-2.
What is the molecular formula of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is C24H29N5O5S2.
What is the molecular weight of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 531.16 g/mol.
Where can I buy ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[(4-butyl-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.