5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
TL;DR: 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (CAS 618397-23-2) is a chemical compound with molecular formula C20H14ClN3O4S and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Also Known As: 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide, [5-(2-chloro-4-nitrophenyl)(2-furyl)]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thi ophen-2-yl))carboxamide, 5-(2-chloro-4-nitro-phenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)furan-2-carboxamide, 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)furan-2-carboxamide
| Molecular Formula | C20H14ClN3O4S |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 5.57248 |
| Topological Polar Surface Area | 109.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.03937 |
| Heavy Atoms | 29 |
| Complexity | 1175.0925 |
Chemical Identifiers
| CAS Number | 618397-23-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C#N |
Product Overview
5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (CAS 618397-23-2), with molecular formula C20H14ClN3O4S and molecular weight 427.04 g/mol. IUPAC: 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide.
Chemical Property Profile of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Property Insights of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
The XLogP value of 5.57248 indicates that 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The CAS number of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is 618397-23-2.
What is the molecular formula of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The molecular formula of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is C20H14ClN3O4S.
What is the molecular weight of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The molecular weight of 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is 427.04 g/mol.
Where can I buy 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
You can request a quote for 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloro-4-nitrophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.