3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
TL;DR: 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide (CAS 845653-25-0) is a chemical compound with molecular formula C21H12N4O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
Also Known As: 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide, (2E)-3-(5-benzothiazol-2-yl(2-furyl))-2-cyano-N-(4-nitrophenyl)prop-2-enamide, (2E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide, (E)-3-(5-(benzo[d]thiazol-2-yl)furan-2-yl)-2-cyano-N-(4-nitrophenyl)acrylamide, (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C21H12N4O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 5.01018 |
| Topological Polar Surface Area | 122.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.05792 |
| Heavy Atoms | 30 |
| Complexity | 1296.0573 |
Chemical Identifiers
| CAS Number | 845653-25-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide (CAS 845653-25-0), with molecular formula C21H12N4O4S and molecular weight 416.06 g/mol. IUPAC: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
Property Insights of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
The XLogP value of 5.01018 indicates that 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide has 1 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 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide?
The CAS number of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide is 845653-25-0.
What is the molecular formula of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide?
The molecular formula of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide is C21H12N4O4S.
What is the molecular weight of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide?
The molecular weight of 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide is 416.06 g/mol.
Where can I buy 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide?
You can request a quote for 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-benzothiazol-2-yl-2-furyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.