4-(1,3-Benzothiazol-2-yl)butanoic acid
TL;DR: 4-(1,3-Benzothiazol-2-yl)butanoic acid (CAS 451-85-4) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)butanoic acid
Also Known As: 4-Benzothiazol-2-yl-butyric acid, 4-(1,3-benzothiazol-2-yl)butanoic acid, 2-Benzothiazolebutanoicacid, 2-benzothiazolebutanoic acid, CBKinase1_000687
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.7036 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 445.14758 |
Chemical Identifiers
| CAS Number | 451-85-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCCC(=O)O |
Product Overview
4-(1,3-Benzothiazol-2-yl)butanoic acid (CAS 451-85-4), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)butanoic acid.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)butanoic acid
Property Insights of 4-(1,3-Benzothiazol-2-yl)butanoic acid
The XLogP value of 2.7036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzothiazol-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 4-(1,3-Benzothiazol-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(1,3-Benzothiazol-2-yl)butanoic acid?
The CAS number of 4-(1,3-Benzothiazol-2-yl)butanoic acid is 451-85-4.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)butanoic acid?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)butanoic acid is C11H11NO2S.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)butanoic acid?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)butanoic acid is 221.05 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)butanoic acid?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.