![3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid structure](/static/products/7492/749214-71-9.webp)
3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid
TL;DR: 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid (CAS 749214-71-9) is a chemical compound with molecular formula C23H16ClNO3S and molecular weight 421.05 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-[3-(4-chlorophenoxy)phenyl]but-3-enoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenoxy)phenyl]but-3-enoic acid, 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid, 3-benzothiazol-2-yl-4-[3-(4-chlorophenoxy)phenyl]but-3-enoic Acid
| Molecular Formula | C23H16ClNO3S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 6.7573 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.05396 |
| Heavy Atoms | 29 |
| Complexity | 1165.2148 |
Chemical Identifiers
| CAS Number | 749214-71-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl)CC(=O)O |
Product Overview
3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid (CAS 749214-71-9), with molecular formula C23H16ClNO3S and molecular weight 421.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenoxy)phenyl]but-3-enoic acid.
Chemical Property Profile of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid
Property Insights of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid
The XLogP value of 6.7573 indicates that 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-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-[3-(4-chloro-phenoxy)-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-[3-(4-chloro-phenoxy)-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-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid?
The CAS number of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid is 749214-71-9.
What is the molecular formula of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid?
The molecular formula of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid is C23H16ClNO3S.
What is the molecular weight of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid?
The molecular weight of 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid is 421.05 g/mol.
Where can I buy 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid?
You can request a quote for 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-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-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-4-[3-(4-chloro-phenoxy)-phenyl]-but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.