Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-
TL;DR: Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- (CAS 47742-71-2) is a chemical compound with molecular formula C29H33N2O3+ and molecular weight 457.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium
Also Known As: permethyldodeilane, Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, J2.929.951J, 3,6-Bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium, [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium
| Molecular Formula | C29H33N2O3+ |
|---|---|
| Molecular Weight | 457.25 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.2491 |
| Heavy Atoms | 34 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 47742-71-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC |
| InChIKey | CKMFJWCEQQYCLE-UHFFFAOYSA-N |
Product Overview
Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- (CAS 47742-71-2), with molecular formula C29H33N2O3+ and molecular weight 457.25 g/mol. IUPAC: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium.
Chemical Property Profile of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-
Property Insights of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-
The XLogP value of 4.7 indicates that Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- has 0 hydrogen bond donor(s) and 4 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, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-?
The CAS number of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- is 47742-71-2.
What is the molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-?
The molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- is C29H33N2O3+.
What is the molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-?
The molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- is 457.25 g/mol.
Where can I buy Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-?
You can request a quote for Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.