![methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate structure](/static/products/5460/546098-40-2.webp)
methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
TL;DR: methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate (CAS 546098-40-2) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate, methyl 4-(4-methylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, (E)-methyl 2-(3-(3-nitrophenyl)acrylamido)-4-(p-tolyl)thiophene-3-carboxylate, methyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene -3-carboxylate, methyl 4-(4-methylphenyl)-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 5.07022 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1132.6846 |
Chemical Identifiers
| CAS Number | 546098-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate (CAS 546098-40-2), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: methyl 4-(4-methylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
Property Insights of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
The XLogP value of 5.07022 indicates that methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-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 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate?
The CAS number of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate is 546098-40-2.
What is the molecular formula of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate?
The molecular formula of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate is C22H18N2O5S.
What is the molecular weight of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate?
The molecular weight of methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate is 422.09 g/mol.
Where can I buy methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate?
You can request a quote for methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-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 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-{3-nitrophenyl}acryloyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.