Hydroxy-pyren-1-YL-methanesulfonic acid
TL;DR: Hydroxy-pyren-1-YL-methanesulfonic acid (CAS 6635-01-4) is a chemical compound with molecular formula C17H12O4S and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy(pyren-1-yl)methanesulfonic acid
Also Known As: hydroxy(pyren-1-yl)methanesulfonic acid, HYDROXY-PYREN-1-YL-METHANESULFONIC ACID
| Molecular Formula | C17H12O4S |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04562 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 6635-01-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(O)S(=O)(=O)O |
| InChIKey | PKFDIBWZKCQRSF-UHFFFAOYSA-N |
Product Overview
Hydroxy-pyren-1-YL-methanesulfonic acid (CAS 6635-01-4), with molecular formula C17H12O4S and molecular weight 312.05 g/mol. IUPAC: hydroxy(pyren-1-yl)methanesulfonic acid.
Chemical Property Profile of Hydroxy-pyren-1-YL-methanesulfonic acid
Property Insights of Hydroxy-pyren-1-YL-methanesulfonic acid
The XLogP value of 3.2 indicates that Hydroxy-pyren-1-YL-methanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxy-pyren-1-YL-methanesulfonic acid. Following Lipinski's Rule of Five, Hydroxy-pyren-1-YL-methanesulfonic acid has 2 hydrogen bond donor(s) and 4 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 Hydroxy-pyren-1-YL-methanesulfonic acid?
The CAS number of Hydroxy-pyren-1-YL-methanesulfonic acid is 6635-01-4.
What is the molecular formula of Hydroxy-pyren-1-YL-methanesulfonic acid?
The molecular formula of Hydroxy-pyren-1-YL-methanesulfonic acid is C17H12O4S.
What is the molecular weight of Hydroxy-pyren-1-YL-methanesulfonic acid?
The molecular weight of Hydroxy-pyren-1-YL-methanesulfonic acid is 312.05 g/mol.
Where can I buy Hydroxy-pyren-1-YL-methanesulfonic acid?
You can request a quote for Hydroxy-pyren-1-YL-methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxy-pyren-1-YL-methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Hydroxy-pyren-1-YL-methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.