3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride
TL;DR: 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride (CAS 2390-63-8) is a chemical compound with molecular formula C30H35ClN2O3 and molecular weight 506.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride
Also Known As: Basic violet 11, Rhodamine 3B, Rhodamin 3B, C.I.Basic Violet 11, C.I. BASIC VIOLET 11
| Molecular Formula | C30H35ClN2O3 |
|---|---|
| Molecular Weight | 506.23 g/mol |
| LogP | 3.04 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.2336 |
| Heavy Atoms | 36 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 2390-63-8 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[Cl-] |
| InChIKey | UOKMUTMXUMSRKM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride (CAS 2390-63-8), with molecular formula C30H35ClN2O3 and molecular weight 506.23 g/mol. IUPAC: [6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride.
Chemical Property Profile of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride
Property Insights of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride
The XLogP value of 3.04 indicates that 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride?
The CAS number of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride is 2390-63-8.
What is the molecular formula of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride?
The molecular formula of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride is C30H35ClN2O3.
What is the molecular weight of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride?
The molecular weight of 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride is 506.23 g/mol.
Where can I buy 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride?
You can request a quote for 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)xanthylium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.