![methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate structure](/static/products/5600/560075-96-9.webp)
methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate
TL;DR: methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate (CAS 560075-96-9) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate, methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, (E)-methyl 4-ethyl-5-methyl-2-(3-(4-nitrophenyl)acrylamido)thiophene-3-carboxylate, methyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-4-ethyl-5-methylthiophene-3 -carboxylate, methyl 4-ethyl-5-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.96562 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 868.4518 |
Chemical Identifiers
| CAS Number | 560075-96-9 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate (CAS 560075-96-9), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate
Property Insights of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate
The XLogP value of 3.96562 indicates that methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate?
The CAS number of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate is 560075-96-9.
What is the molecular formula of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate?
The molecular formula of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate is C18H18N2O5S.
What is the molecular weight of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate?
The molecular weight of methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate is 374.09 g/mol.
Where can I buy methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate?
You can request a quote for methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-2-[(3-{4-nitrophenyl}acryloyl)amino]-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.