xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt
TL;DR: xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 6359-22-4) is a chemical compound with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid
Also Known As: EINECS 228-795-1, Xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt, Hydrogen 9-(2,5-dicarboxylato-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium, 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid, 9-(2-Carboxylato-5-carboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium
| Molecular Formula | C29H30N2O6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 4.8913 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.2104 |
| Heavy Atoms | 37 |
| Complexity | 1313.2609 |
Chemical Identifiers
| CAS Number | 6359-22-4 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3C(=O)O)C(=O)O)C4=C(O2)C=C(C=C4)N(CC)CC |
Product Overview
xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 6359-22-4), with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol. IUPAC: 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid.
Chemical Property Profile of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt
Property Insights of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt
The XLogP value of 4.8913 indicates that xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt. Following Lipinski's Rule of Five, xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The CAS number of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt is 6359-22-4.
What is the molecular formula of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular formula of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt is C29H30N2O6.
What is the molecular weight of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular weight of xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt is 502.21 g/mol.
Where can I buy xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt?
You can request a quote for xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.