![4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid structure](/static/products/104/104344-78-7.webp)
4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid
TL;DR: 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid (CAS 104344-78-7) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzothiazol-2-ylamino)butanoic acid
Also Known As: 4-[(1,3-benzothiazol-2-yl)amino]butanoic acid, 4-(1,3-benzothiazol-2-ylamino)butanoic acid, 4-(benzothiazol-2-ylamino)butanoic Acid, 4-[(1,3-benzothiazol-2-yl)amino]butanoicacid
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)NCCCC(=O)O |
| InChIKey | WSZSGKXXFYVFAU-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid
Property Insights of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-[(1,3-Benzothiazol-2-yl)amino]butanoic 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
What is the CAS number of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid?
The CAS number of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid is 104344-78-7.
What is the molecular formula of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid?
The molecular formula of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid is C11H12N2O2S.
What is the molecular weight of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid?
The molecular weight of 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid is 236.06195 g/mol.
Where can I buy 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid?
You can request a quote for 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(1,3-Benzothiazol-2-yl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.