![(E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/489/489405-14-3.png)
(E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 489405-14-3) is a chemical compound with molecular formula C24H19ClN4O5S and molecular weight 510.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{(2E)-3-[5-(4-chloro-3-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamino}-6-me thyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
| Molecular Formula | C24H19ClN4O5S |
|---|---|
| Molecular Weight | 510.08 g/mol |
| LogP | 5.33908 |
| Topological Polar Surface Area | 152.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.07648 |
| Heavy Atoms | 35 |
| Complexity | 1432.001 |
Chemical Identifiers
| CAS Number | 489405-14-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/C#N |
Product Overview
(E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 489405-14-3), with molecular formula C24H19ClN4O5S and molecular weight 510.08 g/mol. IUPAC: 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 5.33908 indicates that (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.26 Ų indicates high polarity, suggesting (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 489405-14-3.
What is the molecular formula of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C24H19ClN4O5S.
What is the molecular weight of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 510.08 g/mol.
Where can I buy (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.