Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-
TL;DR: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- (CAS 64381-98-2) is a chemical compound with molecular formula C28H31N2O3+ and molecular weight 443.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
Also Known As: Rhodamine, Rhodamine B cation, Rhodamine 610, Rhodamine B(1+), Tetraethylrhodamine
| Molecular Formula | C28H31N2O3+ |
|---|---|
| Molecular Weight | 443.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.23346 |
| Heavy Atoms | 33 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 64381-98-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O |
| InChIKey | CVAVMIODJQHEEH-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- (CAS 64381-98-2), with molecular formula C28H31N2O3+ and molecular weight 443.23 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium.
Chemical Property Profile of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-
Property Insights of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-
The XLogP value of 4.4 indicates that Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- has 1 hydrogen bond donor(s) and 4 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 Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-?
The CAS number of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- is 64381-98-2.
What is the molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-?
The molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- is C28H31N2O3+.
What is the molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-?
The molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- is 443.23 g/mol.
Where can I buy Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-?
You can request a quote for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.