![4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid structure](/static/products/1670/16707-40-7.webp)
4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid
TL;DR: 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid (CAS 16707-40-7) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid
Also Known As: AB00109634-01, 3-[(4-benzothiazol-2-ylphenyl)carbamoyl]propanoic Acid, 4-((4-(benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid, 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid, 4-{[4-(1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobutanoic acid
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 16707-40-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)O |
| InChIKey | ONPQPXOMIXEADB-UHFFFAOYSA-N |
Product Overview
4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid (CAS 16707-40-7), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid
Property Insights of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid has 2 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 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid is 16707-40-7.
What is the molecular formula of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid is C17H14N2O3S.
What is the molecular weight of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid is 326.07 g/mol.
Where can I buy 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Benzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.