xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt
TL;DR: xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 90066-13-0) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.21548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate
Also Known As: N-3-methyl-7-deazaguanine, Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, J1.816.904E, 3-carboxy-4-[6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl]benzoate, 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium
Technical Specifications
| Molecular Formula | C29H30N2O5 |
| Molecular Weight | 486.21548 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.21548 Da |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
| 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 |
| InChIKey | NZRQKXUQAXJACC-UHFFFAOYSA-N |
Chemical Property Profile of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt
Property Insights of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt
The XLogP value of 4.5 indicates that xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt. Following Lipinski's Rule of Five, xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The CAS number of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt is 90066-13-0.
What is the molecular formula of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular formula of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt is C29H30N2O5.
What is the molecular weight of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular weight of xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt is 486.21548 g/mol.
Where can I buy xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
You can request a quote for xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
Yes, CoreyChem provides custom synthesis services for xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.