![dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate structure](/static/products/5407/540789-49-9.webp)
dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate
TL;DR: dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate (CAS 540789-49-9) is a chemical compound with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate, dimethyl 5-[(3-{4-nitrophenyl}acryloyl)amino]-3-methyl-2,4-thiophenedicarboxylate, dimethyl 3-methyl-5-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-2,4-dicarboxylate, methyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-5-(methoxycarbonyl)-4-methy lthiophene-3-carboxylate
| Molecular Formula | C18H16N2O7S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 3.18982 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0678 |
| Heavy Atoms | 28 |
| Complexity | 961.0589 |
Chemical Identifiers
| CAS Number | 540789-49-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate (CAS 540789-49-9), with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol. IUPAC: dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate
Property Insights of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate
The XLogP value of 3.18982 indicates that dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate?
The CAS number of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate is 540789-49-9.
What is the molecular formula of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate is C18H16N2O7S.
What is the molecular weight of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate is 404.07 g/mol.
Where can I buy dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.