3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid
TL;DR: 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid (CAS 721405-20-5) is a chemical compound with molecular formula C25H21NO4S and molecular weight 431.12 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-methoxy-3-phenylmethoxyphenyl)but-3-enoic acid
Also Known As: 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid, 3-(1,3-benzothiazol-2-yl)-4-[3-(benzyloxy)-4-methoxyphenyl]but-3-enoic acid, 3-benzothiazol-2-yl-4-(4-methoxy-3-phenylmethoxy-phenyl)but-3-enoic Acid, 3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxyphenyl)but-3-enoic acid
| Molecular Formula | C25H21NO4S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 5.8992 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.11914 |
| Heavy Atoms | 31 |
| Complexity | 1197.7544 |
Chemical Identifiers
| CAS Number | 721405-20-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4 |
Product Overview
3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid (CAS 721405-20-5), with molecular formula C25H21NO4S and molecular weight 431.12 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-4-(4-methoxy-3-phenylmethoxyphenyl)but-3-enoic acid.
Chemical Property Profile of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid
Property Insights of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid
The XLogP value of 5.8992 indicates that 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid has 1 hydrogen bond donor(s) and 5 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-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid?
The CAS number of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid is 721405-20-5.
What is the molecular formula of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid?
The molecular formula of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid is C25H21NO4S.
What is the molecular weight of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid?
The molecular weight of 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid is 431.12 g/mol.
Where can I buy 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid?
You can request a quote for 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-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-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-4-(3-benzyloxy-4-methoxy-phenyl)-but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.