![methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/468/468749-65-7.png)
methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-65-7) is a chemical compound with molecular formula C22H16ClN3O6S and molecular weight 485.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, (E)-methyl 2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-{(2E)-3-[5-(4-chloro-3-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamin o}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C22H16ClN3O6S |
|---|---|
| Molecular Weight | 485.04 g/mol |
| LogP | 5.51882 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.04483 |
| Heavy Atoms | 33 |
| Complexity | 1348.5812 |
Chemical Identifiers
| CAS Number | 468749-65-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C#N)C |
Product Overview
methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-65-7), with molecular formula C22H16ClN3O6S and molecular weight 485.04 g/mol. IUPAC: methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 5.51882 indicates that methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-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 methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate is 468749-65-7.
What is the molecular formula of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate is C22H16ClN3O6S.
What is the molecular weight of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate is 485.04 g/mol.
Where can I buy methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-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 methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.