![methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate structure](/static/products/5476/547696-91-3.webp)
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
TL;DR: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 547696-91-3) is a chemical compound with molecular formula C19H19N3O6S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, methyl 5-[(dimethylamino)carbonyl]-2-[(3-{3-nitrophenyl}acryloyl)amino]-4-methyl-3-thiophenecarboxylate, (E)-methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-(3-nitrophenyl)acrylamido)thiophene-3-carboxylate, methyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]-5-(N,N-dimethylcarbamoyl)-4 -methylthiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C19H19N3O6S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 3.10502 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.09946 |
| Heavy Atoms | 29 |
| Complexity | 1009.3686 |
Chemical Identifiers
| CAS Number | 547696-91-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)C |
Product Overview
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate (CAS 547696-91-3), with molecular formula C19H19N3O6S and molecular weight 417.10 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Property Insights of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
The XLogP value of 3.10502 indicates that methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-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 methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-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 methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The CAS number of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 547696-91-3.
What is the molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is C19H19N3O6S.
What is the molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate is 417.10 g/mol.
Where can I buy methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
You can request a quote for methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-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 methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.