![ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate structure](/static/products/5407/540755-06-4.webp)
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
TL;DR: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 540755-06-4) is a chemical compound with molecular formula C22H25N3O6S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 5-[(diethylamino)carbonyl]-2-[(3-{4-nitrophenyl}acryloyl)amino]-4-methyl-3-thiophenecarboxylate, (E)-ethyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(4-nitrophenyl)acrylamido)thiophene-3-carboxylate, ethyl 2-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]-5-(N,N-diethylcarbamoyl)-4-m ethylthiophene-3-carboxylate, ethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H25N3O6S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 4.27532 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1464 |
| Heavy Atoms | 32 |
| Complexity | 1038.6808 |
Chemical Identifiers
| CAS Number | 540755-06-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C |
Product Overview
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 540755-06-4), with molecular formula C22H25N3O6S and molecular weight 459.15 g/mol. IUPAC: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Property Insights of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
The XLogP value of 4.27532 indicates that ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The CAS number of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 540755-06-4.
What is the molecular formula of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular formula of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is C22H25N3O6S.
What is the molecular weight of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular weight of ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 459.15 g/mol.
Where can I buy ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
You can request a quote for ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]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 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.