Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
TL;DR: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (CAS 62669-77-6) is a chemical compound with molecular formula C22H19ClN2O7 and molecular weight 458.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium perchlorate
Also Known As: Rhodamine 116, Rhodamine 116 perchlorate, Rh 116, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate, 9-(2-Carboxyphenyl)-3,6-bis(methylamino)xanthylium perchlorate
| Molecular Formula | C22H19ClN2O7 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.08807 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 62669-77-6 |
|---|---|
| SMILES | CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O |
| InChIKey | PGRMUEVKABEERE-UHFFFAOYSA-N |
Product Overview
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (CAS 62669-77-6), with molecular formula C22H19ClN2O7 and molecular weight 458.09 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium perchlorate.
Chemical Property Profile of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
Property Insights of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
The XLogP value of -2.2 indicates that Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate has 3 hydrogen bond donor(s) and 8 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-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate?
The CAS number of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate is 62669-77-6.
What is the molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate?
The molecular formula of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate is C22H19ClN2O7.
What is the molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate?
The molecular weight of Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate is 458.09 g/mol.
Where can I buy Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate?
You can request a quote for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate 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(methylamino)-, perchlorate?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.