![3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/847/847337-02-4.png)
3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 847337-02-4) is a chemical compound with molecular formula C23H12ClN3OS2 and molecular weight 445.01 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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(5-benzothiazol-2-yl(2-furyl))-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)] prop-2-enenitrile, (2E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(5-(benzo[d]thiazol-2-yl)furan-2-yl)-2-(4-(4-chlorophenyl)thiazol-2-yl)acrylonitrile, (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C23H12ClN3OS2 |
|---|---|
| Molecular Weight | 445.01 g/mol |
| LogP | 7.39738 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.01102 |
| Heavy Atoms | 30 |
| Complexity | 1387.7241 |
Chemical Identifiers
| CAS Number | 847337-02-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)/C=C(\C#N)/C4=NC(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 847337-02-4), with molecular formula C23H12ClN3OS2 and molecular weight 445.01 g/mol. IUPAC: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 7.39738 indicates that 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has 0 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 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 847337-02-4.
What is the molecular formula of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C23H12ClN3OS2.
What is the molecular weight of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 445.01 g/mol.
Where can I buy 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile 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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-benzothiazol-2-yl-2-furyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.