ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 327094-39-3) is a chemical compound with molecular formula C22H21NO3S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate, (E)-ethyl 4,5-dimethyl-2-(3-(naphthalen-1-yl)acrylamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-{[(2E)-3-(naphthalen-1-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H21NO3S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 5.34674 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1242 |
| Heavy Atoms | 27 |
| Complexity | 1027.964 |
Chemical Identifiers
| CAS Number | 327094-39-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32 |
Product Overview
ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate (CAS 327094-39-3), with molecular formula C22H21NO3S and molecular weight 379.12 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 5.34674 indicates that ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is 327094-39-3.
What is the molecular formula of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is C22H21NO3S.
What is the molecular weight of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate is 379.12 g/mol.
Where can I buy ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-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 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((2E)-3-naphthylprop-2-enoylamino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.