3-Phenanthrenesulfonic acid
TL;DR: 3-Phenanthrenesulfonic acid (CAS 5345-99-3) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenanthrene-3-sulfonic acid
Also Known As: 3-Phenanthrenesulfonic acid, phenanthrene-3-sulfonic acid, phenanthrene-6-sulfonic acid, RefChem:281628
| Molecular Formula | C14H10O3S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.03506 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 5345-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)S(=O)(=O)O |
| InChIKey | DATCUBITXKHYTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenanthrenesulfonic acid (CAS 5345-99-3), with molecular formula C14H10O3S and molecular weight 258.04 g/mol. IUPAC: phenanthrene-3-sulfonic acid.
Chemical Property Profile of 3-Phenanthrenesulfonic acid
Property Insights of 3-Phenanthrenesulfonic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenanthrenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenanthrenesulfonic acid. Following Lipinski's Rule of Five, 3-Phenanthrenesulfonic acid has 1 hydrogen bond donor(s) and 3 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 3-Phenanthrenesulfonic acid?
The CAS number of 3-Phenanthrenesulfonic acid is 5345-99-3.
What is the molecular formula of 3-Phenanthrenesulfonic acid?
The molecular formula of 3-Phenanthrenesulfonic acid is C14H10O3S.
What is the molecular weight of 3-Phenanthrenesulfonic acid?
The molecular weight of 3-Phenanthrenesulfonic acid is 258.04 g/mol.
Where can I buy 3-Phenanthrenesulfonic acid?
You can request a quote for 3-Phenanthrenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenanthrenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenanthrenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.