RefChem:902289
TL;DR: RefChem:902289 (CAS 65392-81-6) is a chemical compound with molecular formula C29H29N2NaO5 and molecular weight 508.19742 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate
Also Known As: Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt, Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, sodium salt, Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1), Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, monosodium salt, Hydrogen 9-(2,4-dicarboxylatophenyl)-3,6-bis(diethylamino)xanthylium, sodium salt
Technical Specifications
| Molecular Formula | C29H29N2NaO5 |
| Molecular Weight | 508.19742 g/mol |
| XLogP | -0.41 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.19742 Da |
| Heavy Atoms | 37 |
| Complexity | 925.0 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+] |
| InChIKey | QSDRVNJWBDNNPE-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:902289
Property Insights of RefChem:902289
The XLogP value of -0.41 indicates that RefChem:902289 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:902289. Following Lipinski's Rule of Five, RefChem:902289 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:902289?
The CAS number of RefChem:902289 is 65392-81-6.
What is the molecular formula of RefChem:902289?
The molecular formula of RefChem:902289 is C29H29N2NaO5.
What is the molecular weight of RefChem:902289?
The molecular weight of RefChem:902289 is 508.19742 g/mol.
Where can I buy RefChem:902289?
You can request a quote for RefChem:902289 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:902289?
Yes, CoreyChem provides custom synthesis services for RefChem:902289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.