![3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid structure](/static/products/748/748786-63-2.png)
3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid
TL;DR: 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid (CAS 748786-63-2) is a chemical compound with molecular formula C24H19NO3S and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid, 3-Benzothiazol-2-yl-4-(3-benzyloxy-phenyl)-but-3-enoic acid, 3-benzothiazol-2-yl-4-(3-phenylmethoxyphenyl)but-3-enoic Acid, (E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid, (3E)-3-(1,3-BENZOTHIAZOL-2-YL)-4-[3-(BENZYLOXY)PHENYL]BUT-3-ENOIC ACID
| Molecular Formula | C24H19NO3S |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 5.8906 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.10855 |
| Heavy Atoms | 29 |
| Complexity | 1131.953 |
Chemical Identifiers
| CAS Number | 748786-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid (CAS 748786-63-2), with molecular formula C24H19NO3S and molecular weight 401.11 g/mol. IUPAC: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoic acid.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid
Property Insights of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid
The XLogP value of 5.8906 indicates that 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)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-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)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-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid is 748786-63-2.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid is C24H19NO3S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid is 401.11 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)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-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-4-[3-(benzyloxy)phenyl]but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.