Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)
TL;DR: Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) (CAS 2509-06-0) is a chemical compound with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride
Also Known As: Rhodamine S Extra, Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride, (9-(2-Carboxyethyl)-6-(dimethylamino)-3H-xanthenylidene)dimethylammonium chloride, Methanaminium, N-(9-(2-carboxyethyl)-6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methyl-, Cl, [9-(2-Carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazaniumchloride
| Molecular Formula | C20H23ClN2O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | -0.34 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.1397 |
| Heavy Atoms | 26 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 2509-06-0 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-] |
| InChIKey | PWRXRKRLQRNESS-UHFFFAOYSA-N |
Product Overview
Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) (CAS 2509-06-0), with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol. IUPAC: [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride.
Chemical Property Profile of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)
Property Insights of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)
The XLogP value of -0.34 indicates that Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.8 Ų, Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) 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 Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)?
The CAS number of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) is 2509-06-0.
What is the molecular formula of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)?
The molecular formula of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) is C20H23ClN2O3.
What is the molecular weight of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)?
The molecular weight of Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) is 374.14 g/mol.
Where can I buy Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)?
You can request a quote for Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (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-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.