(E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate (CAS 325850-89-3) is a chemical compound with molecular formula C20H20FNO5S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00791789, BIM-0025914.P001, F0223-0023, (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-[(2E)-3-(4-FLUOROPHENYL)PROP-2-ENAMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C20H20FNO5S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 4.20092 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1046 |
| Heavy Atoms | 28 |
| Complexity | 902.065 |
Chemical Identifiers
| CAS Number | 325850-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)/C=C/C2=CC=C(C=C2)F |
Product Overview
(E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate (CAS 325850-89-3), with molecular formula C20H20FNO5S and molecular weight 405.10 g/mol. IUPAC: diethyl 5-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.20092 indicates that (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate is 325850-89-3.
What is the molecular formula of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate is C20H20FNO5S.
What is the molecular weight of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate is 405.10 g/mol.
Where can I buy (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-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 (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-diethyl 5-(3-(4-fluorophenyl)acrylamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.