(E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-08-8) is a chemical compound with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate, F1305-0096, METHYL 2-[(2E)-2-CYANO-3-[5-(3-NITROPHENYL)FURAN-2-YL]PROP-2-ENAMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C22H17N3O6S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 4.86542 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0838 |
| Heavy Atoms | 32 |
| Complexity | 1295.2231 |
Chemical Identifiers
| CAS Number | 468749-08-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N)C |
Product Overview
(E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-08-8), with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.86542 indicates that (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-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-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 468749-08-8.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is C22H17N3O6S.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 451.08 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-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-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.