(E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate
TL;DR: (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate (CAS 588684-74-6) is a chemical compound with molecular formula C23H24N2O6S and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate
Also Known As: (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate, 4-((1E)-2-cyano-2-{N-[3-(methoxycarbonyl)-5-propyl(2-thienyl)]carbamoyl}vinyl) -2-ethoxyphenyl acetate, methyl 2-({(2E)-3-[4-(acetyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)-5-propylthiophene-3-carboxylate, methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate
| Molecular Formula | C23H24N2O6S |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.35688 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.1355 |
| Heavy Atoms | 32 |
| Complexity | 1080.6411 |
Chemical Identifiers
| CAS Number | 588684-74-6 |
|---|---|
| SMILES | CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C)OCC)/C#N)C(=O)OC |
Product Overview
(E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate (CAS 588684-74-6), with molecular formula C23H24N2O6S and molecular weight 456.14 g/mol. IUPAC: methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate
Property Insights of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate
The XLogP value of 4.35688 indicates that (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate is 588684-74-6.
What is the molecular formula of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate is C23H24N2O6S.
What is the molecular weight of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate is 456.14 g/mol.
Where can I buy (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(4-acetoxy-3-ethoxyphenyl)-2-cyanoacrylamido)-5-propylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.