![4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid structure](/static/products/1078/107811-09-6.webp)
4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid
TL;DR: 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid (CAS 107811-09-6) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid
Also Known As: 4-Isothiocyanatophthalhydrazide, BAS 01417407, VU0609138-1, 4-Oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butanoic acid, 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid
Technical Specifications
| Molecular Formula | C11H14N2O3S |
| Molecular Weight | 254.07251 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07251 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)CCC(=O)O |
| InChIKey | QQEFKNLDHRBWOM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid
Property Insights of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)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-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid?
The CAS number of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid is 107811-09-6.
What is the molecular formula of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid?
The molecular formula of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid is C11H14N2O3S.
What is the molecular weight of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid?
The molecular weight of 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid is 254.07251 g/mol.
Where can I buy 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid?
You can request a quote for 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.