3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid
TL;DR: 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid (CAS 748142-95-2) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid, (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid, 3-Benzothiazol-2-yl-4-(4-nitro-phenyl)-but-3-enoic acid, 3-benzothiazol-2-yl-4-(4-nitrophenyl)but-3-enoic Acid, 3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoicacid
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 4.2198 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 911.63873 |
Chemical Identifiers
| CAS Number | 748142-95-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/CC(=O)O |
Product Overview
3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid (CAS 748142-95-2), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid
Property Insights of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid
The XLogP value of 4.2198 indicates that 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid is 748142-95-2.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid is C17H12N2O4S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid is 340.05 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.