Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate (CAS 686281-55-0) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methylbut-2-enoylamino)-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate, ethyl 2-(3-methylbut-2-enoylamino)-5-phenylthiophene-3-carboxylate, F3098-3624, ethyl 2-(2-methyl-1-propenylcarbonylamino)-5-phenyl-3-thenoate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 686281-55-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C=C(C)C |
| InChIKey | CFCZUPYLHRXFHD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate (CAS 686281-55-0), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: ethyl 2-(3-methylbut-2-enoylamino)-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 5.0 indicates that Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate is 686281-55-0.
What is the molecular formula of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate is C18H19NO3S.
What is the molecular weight of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate is 329.11 g/mol.
Where can I buy Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-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-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-methylbut-2-enamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.