3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid
TL;DR: 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid (CAS 109622-41-5) is a chemical compound with molecular formula C9H12ClNO4S and molecular weight 265.01755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-2-hydroxyanilino)propane-1-sulfonic acid
Also Known As: 3-(5-chloro-2-hydroxyanilino)propane-1-sulfonic acid, 3-(5-CHLORO-2-HYDROXY(PHENYLAMINO))-1-PROPANESULFONIC ACID, 3-[(5-Chloro-2-hydroxyphenyl)amino]-1-propanesulfonic acid, 3-(5-CHLORO-2-HYDROXYANILINO)-1-PROPANESULFONIC ACID, 3-[(5-chloro-2-hydroxy-phenyl)amino]propane-1-sulfonic Acid
Technical Specifications
| Molecular Formula | C9H12ClNO4S |
| Molecular Weight | 265.01755 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.01755 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | C1=CC(=C(C=C1Cl)NCCCS(=O)(=O)O)O |
| InChIKey | JBVQSLQJLBWHHG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid
Property Insights of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic 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 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid?
The CAS number of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid is 109622-41-5.
What is the molecular formula of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid?
The molecular formula of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid is C9H12ClNO4S.
What is the molecular weight of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid?
The molecular weight of 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid is 265.01755 g/mol.
Where can I buy 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid?
You can request a quote for 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-Chloro-2-hydroxyanilino)propane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.