xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt
TL;DR: xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt (CAS 56046-85-6) is a chemical compound with molecular formula C19H10Cl2O4S and molecular weight 403.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dichloroxanthen-10-ium-9-yl)benzenesulfonate
Also Known As: 3,6-dichloro-9- xanthylium, 3,6-Dichloro-9-(2-sulphonatophenyl)xanthylium, 2-(3,6-dichloroxanthen-10-ium-9-yl)benzenesulfonate, 6-Hydroxypyridin-2(1H)-one sulphate, 3,6-Dichloro-9-(2-sulfonatophenyl)xanthylium
| Molecular Formula | C19H10Cl2O4S |
|---|---|
| Molecular Weight | 403.97 g/mol |
| LogP | 5.75 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.96768 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 56046-85-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)Cl)Cl)S(=O)(=O)[O-] |
| InChIKey | QIWIPKRMEQMLMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt (CAS 56046-85-6), with molecular formula C19H10Cl2O4S and molecular weight 403.97 g/mol. IUPAC: 2-(3,6-dichloroxanthen-10-ium-9-yl)benzenesulfonate.
Chemical Property Profile of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt
Property Insights of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt
The XLogP value of 5.75 indicates that xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt. Following Lipinski's Rule of Five, xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt?
The CAS number of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt is 56046-85-6.
What is the molecular formula of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt?
The molecular formula of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt is C19H10Cl2O4S.
What is the molecular weight of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt?
The molecular weight of xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt is 403.97 g/mol.
Where can I buy xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt?
You can request a quote for xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for xanthylium, 3,6-dichloro-9-(2-sulfophenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.