![ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/3938/393804-08-5.webp)
ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393804-08-5) is a chemical compound with molecular formula C29H35N5O4S2 and molecular weight 581.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, F0520-0867, ethyl 2-(2-((4-cyclohexyl-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C29H35N5O4S2 |
|---|---|
| Molecular Weight | 581.21 g/mol |
| LogP | 5.47942 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 581.2131 |
| Heavy Atoms | 40 |
| Complexity | 1392.9565 |
Chemical Identifiers
| CAS Number | 393804-08-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC=CC(=C5)C |
Product Overview
ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393804-08-5), with molecular formula C29H35N5O4S2 and molecular weight 581.21 g/mol. IUPAC: ethyl 2-[[2-[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]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-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 5.47942 indicates that ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)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 8 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-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 393804-08-5.
What is the molecular formula of ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is C29H35N5O4S2.
What is the molecular weight of ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 581.21 g/mol.
Where can I buy ethyl 2-{2-[(4-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)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-cyclohexyl-5-{[(3-methylphenyl)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.