Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
TL;DR: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) (CAS 64381-99-3) is a chemical compound with molecular formula C30H34N2O5 and molecular weight 502.25 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 acetate
Also Known As: Rhodamine B acetate, CI 45170, ACETATE, 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate, C.I. 45170, ACETATE, D&C RED NO. 20 (DELISTED)
| Molecular Formula | C30H34N2O5 |
|---|---|
| Molecular Weight | 502.25 g/mol |
| LogP | 4.32 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.24677 |
| Heavy Atoms | 37 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 64381-99-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC(=O)[O-] |
| InChIKey | RWYDZCISLBOUMH-UHFFFAOYSA-N |
Product Overview
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) (CAS 64381-99-3), with molecular formula C30H34N2O5 and molecular weight 502.25 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium acetate.
Chemical Property Profile of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
Property Insights of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
The XLogP value of 4.32 indicates that Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1). Following Lipinski's Rule of Five, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)?
The CAS number of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) is 64381-99-3.
What is the molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)?
The molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) is C30H34N2O5.
What is the molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)?
The molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) is 502.25 g/mol.
Where can I buy Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)?
You can request a quote for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) 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)-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.