![ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/3938/393814-65-8.webp)
ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393814-65-8) is a chemical compound with molecular formula C30H30N6O7S2 and molecular weight 650.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, F0520-2097, ethyl 2-(2-((5-((4-methoxybenzamido)methyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C30H30N6O7S2 |
|---|---|
| Molecular Weight | 650.16 g/mol |
| LogP | 4.9603 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 650.16174 |
| Heavy Atoms | 45 |
| Complexity | 1734.5038 |
Chemical Identifiers
| CAS Number | 393814-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=C(C=C5)OC |
Product Overview
ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 393814-65-8), with molecular formula C30H30N6O7S2 and molecular weight 650.16 g/mol. IUPAC: ethyl 2-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 4.9603 indicates that ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.58 Ų indicates high polarity, suggesting ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 11 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-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 393814-65-8.
What is the molecular formula of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is C30H30N6O7S2.
What is the molecular weight of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 650.16 g/mol.
Where can I buy ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-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-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.