9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride
TL;DR: 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride (CAS 16060-68-7) is a chemical compound with molecular formula C24H23ClN2O3 and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chloride
Also Known As: basic red 8, Rhodamine G, C.I. Basic Red 8, RHODAMINE X, SYTON PINK G
| Molecular Formula | C24H23ClN2O3 |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 0.3398 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1397 |
| Heavy Atoms | 30 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 16060-68-7 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| InChIKey | NJIPPPFBHZDIDC-UHFFFAOYSA-N |
Product Overview
9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride (CAS 16060-68-7), with molecular formula C24H23ClN2O3 and molecular weight 422.14 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chloride.
Chemical Property Profile of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride
Property Insights of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride
The XLogP value of 0.3398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride. Following Lipinski's Rule of Five, 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride has 3 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-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride?
The CAS number of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride is 16060-68-7.
What is the molecular formula of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride?
The molecular formula of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride is C24H23ClN2O3.
What is the molecular weight of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride?
The molecular weight of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride is 422.14 g/mol.
Where can I buy 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride?
You can request a quote for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium 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-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.