![5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid structure](/static/products/893/893776-69-7.png)
5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
TL;DR: 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (CAS 893776-69-7) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid, AO-080/43441714, A4117/0175537, 5-{[4-(1,3-benzothiazol-2-yl)phenyl]amino}-3,3-dimethyl-5-oxopentanoic acid
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.7928 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 912.1045 |
Chemical Identifiers
| CAS Number | 893776-69-7 |
|---|---|
| SMILES | CC(C)(CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)CC(=O)O |
Product Overview
5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (CAS 893776-69-7), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
Property Insights of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
The XLogP value of 4.7928 indicates that 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 4 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 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The CAS number of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is 893776-69-7.
What is the molecular formula of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The molecular formula of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is C20H20N2O3S.
What is the molecular weight of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The molecular weight of 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is 368.12 g/mol.
Where can I buy 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
You can request a quote for 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(1,3-Benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.