4-(2-Aminophenylthio)-butylphosphonic acid
TL;DR: 4-(2-Aminophenylthio)-butylphosphonic acid (CAS 191411-61-7) is a chemical compound with molecular formula C10H16NO3PS and molecular weight 261.05884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-aminophenyl)sulfanylbutylphosphonic acid
Also Known As: 1cx9, 4-(2-aminophenylthio)-butylphosphonic acid, {4-[(2-aminophenyl)sulfanyl]butyl}phosphonic acid, 4-[(2-aminophenyl)thio]butylphosphonic acid, 4-(2-aminophenyl)sulfanylbutylphosphonic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16NO3PS |
| Molecular Weight | 261.05884 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.05884 Da |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
| SMILES | C1=CC=C(C(=C1)N)SCCCCP(=O)(O)O |
| InChIKey | POZPBCXLYRZUTO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Aminophenylthio)-butylphosphonic acid
Property Insights of 4-(2-Aminophenylthio)-butylphosphonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Aminophenylthio)-butylphosphonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Aminophenylthio)-butylphosphonic acid. Following Lipinski's Rule of Five, 4-(2-Aminophenylthio)-butylphosphonic acid has 3 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-(2-Aminophenylthio)-butylphosphonic acid?
The CAS number of 4-(2-Aminophenylthio)-butylphosphonic acid is 191411-61-7.
What is the molecular formula of 4-(2-Aminophenylthio)-butylphosphonic acid?
The molecular formula of 4-(2-Aminophenylthio)-butylphosphonic acid is C10H16NO3PS.
What is the molecular weight of 4-(2-Aminophenylthio)-butylphosphonic acid?
The molecular weight of 4-(2-Aminophenylthio)-butylphosphonic acid is 261.05884 g/mol.
Where can I buy 4-(2-Aminophenylthio)-butylphosphonic acid?
You can request a quote for 4-(2-Aminophenylthio)-butylphosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Aminophenylthio)-butylphosphonic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Aminophenylthio)-butylphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.