(E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 469876-76-4) is a chemical compound with molecular formula C18H15ClN2O3S and molecular weight 374.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoylamino]-4,5-dimethylthioph ene-3-carboxylate, methyl 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-{[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C18H15ClN2O3S |
|---|---|
| Molecular Weight | 374.05 g/mol |
| LogP | 4.35062 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0492 |
| Heavy Atoms | 25 |
| Complexity | 892.2804 |
Chemical Identifiers
| CAS Number | 469876-76-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N)C |
Product Overview
(E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 469876-76-4), with molecular formula C18H15ClN2O3S and molecular weight 374.05 g/mol. IUPAC: methyl 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.35062 indicates that (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate is 469876-76-4.
What is the molecular formula of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate is C18H15ClN2O3S.
What is the molecular weight of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate is 374.05 g/mol.
Where can I buy (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-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 (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.