Xylene cyanol
TL;DR: Xylene cyanol (CAS 4463-44-9) is a chemical compound with molecular formula C24H28N2O3S and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acid
Also Known As: Xylene cyanol, 2-(2,2-Bis(4-(dimethylamino)phenyl)ethyl)benzenesulfonic acid, 2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acid, J3.054.310F, 2-{2,2-bis[4-(dimethylamino)phenyl]ethyl}benzene-1-sulfonic acid
| Molecular Formula | C24H28N2O3S |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.18207 |
| Heavy Atoms | 30 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 4463-44-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2S(=O)(=O)O)C3=CC=C(C=C3)N(C)C |
| InChIKey | MFEPWAJFBAHWAJ-UHFFFAOYSA-N |
Product Overview
Xylene cyanol (CAS 4463-44-9), with molecular formula C24H28N2O3S and molecular weight 424.18 g/mol. IUPAC: 2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acid.
Chemical Property Profile of Xylene cyanol
Property Insights of Xylene cyanol
The XLogP value of 4.6 indicates that Xylene cyanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Xylene cyanol. Following Lipinski's Rule of Five, Xylene cyanol 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 Xylene cyanol?
The CAS number of Xylene cyanol is 4463-44-9.
What is the molecular formula of Xylene cyanol?
The molecular formula of Xylene cyanol is C24H28N2O3S.
What is the molecular weight of Xylene cyanol?
The molecular weight of Xylene cyanol is 424.18 g/mol.
Where can I buy Xylene cyanol?
You can request a quote for Xylene cyanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylene cyanol?
Yes, KEHONG BIO provides custom synthesis services for Xylene cyanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.