9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate
TL;DR: 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate (CAS 62669-66-3) is a chemical compound with molecular formula C30H35ClN2O7 and molecular weight 570.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethylxanthen-3-ylidene]-diethylazanium perchlorate
Also Known As: RHODAMINE 3B PERCHLORATE, I05-2765, 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)
| Molecular Formula | C30H35ClN2O7 |
|---|---|
| Molecular Weight | 570.21 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.21326 |
| Heavy Atoms | 40 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 62669-66-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1C)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O |
| InChIKey | WLXLQXVNKTVEJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate (CAS 62669-66-3), with molecular formula C30H35ClN2O7 and molecular weight 570.21 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethylxanthen-3-ylidene]-diethylazanium perchlorate.
Chemical Property Profile of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate
Property Insights of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate. Following Lipinski's Rule of Five, 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate?
The CAS number of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate is 62669-66-3.
What is the molecular formula of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate?
The molecular formula of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate is C30H35ClN2O7.
What is the molecular weight of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate?
The molecular weight of 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate is 570.21 g/mol.
Where can I buy 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate?
You can request a quote for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate 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)-2,7-dimethylxanthylium perchlorate?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.