2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid
TL;DR: 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid (CAS 960009-35-2) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: Sildenafil Impurity 71, Sildenafil Impurity 158, 2-hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid, 2-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid, 2-Hydroxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic Acid
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 0.0265 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 620.7349 |
Chemical Identifiers
| CAS Number | 960009-35-2 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O |
Product Overview
2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid (CAS 960009-35-2), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: 2-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid
Property Insights of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid
The XLogP value of 0.0265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic 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
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid?
The CAS number of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid is 960009-35-2.
What is the molecular formula of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid?
The molecular formula of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid is C12H16N2O5S.
What is the molecular weight of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid?
The molecular weight of 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid is 300.08 g/mol.
Where can I buy 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid?
You can request a quote for 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-(4-methylpiperazin-1-ylsulphonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.