9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride
TL;DR: 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride (CAS 67226-84-0) is a chemical compound with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride
Also Known As: Rhodamine S, 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride, [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride, N-[9-(2-carboxyethyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium chloride, 9-(2-carboxyethyl)-6-(dimethylamino)-N,N-diethylxanthen-3-iminium chloride
| Molecular Formula | C22H27ClN2O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 0.44 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.17102 |
| Heavy Atoms | 28 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 67226-84-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-] |
| InChIKey | WDVMDLIQKXADBF-UHFFFAOYSA-N |
Product Overview
9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride (CAS 67226-84-0), with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol. IUPAC: [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride.
Chemical Property Profile of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride
Property Insights of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride
The XLogP value of 0.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride. With a topological polar surface area (TPSA) of 52.8 Ų, 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride 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 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride?
The CAS number of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride is 67226-84-0.
What is the molecular formula of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride?
The molecular formula of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride is C22H27ClN2O3.
What is the molecular weight of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride?
The molecular weight of 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride is 402.17 g/mol.
Where can I buy 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride?
You can request a quote for 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxyethyl)-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.