Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
TL;DR: Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt (CAS 2609-88-3) is a chemical compound with molecular formula C27H30N2O7S2 and molecular weight 558.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
Also Known As: Sulforhodamine B, Lissamine rhodamine B, Kiton Rhodamine B, sulforodamine B, Xylene Red B
| Molecular Formula | C27H30N2O7S2 |
|---|---|
| Molecular Weight | 558.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.1494 |
| Heavy Atoms | 38 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 2609-88-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-] |
| InChIKey | IOOMXAQUNPWDLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt (CAS 2609-88-3), with molecular formula C27H30N2O7S2 and molecular weight 558.15 g/mol. IUPAC: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate.
Chemical Property Profile of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
Property Insights of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt. The TPSA of 144.0 Ų indicates high polarity, suggesting Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt has 1 hydrogen bond donor(s) and 8 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-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt?
The CAS number of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt is 2609-88-3.
What is the molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt?
The molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt is C27H30N2O7S2.
What is the molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt?
The molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt is 558.15 g/mol.
Where can I buy Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt?
You can request a quote for Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, 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-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.