1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)
TL;DR: 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) (CAS 92798-16-8) is a chemical compound with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;1,10-phenanthroline
Also Known As: 1,10-Phenanthroline,mono, 1,10-Phenanthroline, mono(4-methylbenzenesulfonate), 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1), 1,10-Phenanthroline, 4-methylbenzenesulfonate, 4-methylbenzenesulfonic acid; 1,10-phenanthroline
| Molecular Formula | C19H16N2O3S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 4.02472 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.08817 |
| Heavy Atoms | 25 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 92798-16-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 |
| InChIKey | TUHNJTOLXCFPHY-UHFFFAOYSA-N |
Product Overview
1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) (CAS 92798-16-8), with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol. IUPAC: 4-methylbenzenesulfonic acid;1,10-phenanthroline.
Chemical Property Profile of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)
Property Insights of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)
The XLogP value of 4.02472 indicates that 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) has 1 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 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)?
The CAS number of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) is 92798-16-8.
What is the molecular formula of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)?
The molecular formula of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) is C19H16N2O3S.
What is the molecular weight of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)?
The molecular weight of 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) is 352.09 g/mol.
Where can I buy 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)?
You can request a quote for 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.