3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid
TL;DR: 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid (CAS 721406-25-3) is a chemical compound with molecular formula C21H21NO3S and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoic acid
Also Known As: 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid, 3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoic acid, 3-benzothiazol-2-yl-4-(4-butoxyphenyl)but-3-enoic Acid
| Molecular Formula | C21H21NO3S |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 5.4905 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.1242 |
| Heavy Atoms | 26 |
| Complexity | 879.4107 |
Chemical Identifiers
| CAS Number | 721406-25-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2 |
Product Overview
3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid (CAS 721406-25-3), with molecular formula C21H21NO3S and molecular weight 367.12 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)but-3-enoic acid.
Chemical Property Profile of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid
Property Insights of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid
The XLogP value of 5.4905 indicates that 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.42 Ų, 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid?
The CAS number of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid is 721406-25-3.
What is the molecular formula of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid?
The molecular formula of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid is C21H21NO3S.
What is the molecular weight of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid?
The molecular weight of 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid is 367.12 g/mol.
Where can I buy 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid?
You can request a quote for 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-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-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-4-(4-butoxy-phenyl)-but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.