![3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium structure](/static/products/1391/1391193-53-5.webp)
3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium
TL;DR: 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium (CAS 1391193-53-5) is a chemical compound with molecular formula C23H20NO4+ and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium
Also Known As: 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium, [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethyl-azanium, [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium
| Molecular Formula | C23H20NO4+ |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13922 |
| Heavy Atoms | 28 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 1391193-53-5 |
|---|---|
| SMILES | C[N+](=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC=CC=C4C(=O)OC)C |
| InChIKey | RZELENUVHIICLJ-UHFFFAOYSA-O |
Product Overview
3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium (CAS 1391193-53-5), with molecular formula C23H20NO4+ and molecular weight 374.14 g/mol. IUPAC: [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium.
Chemical Property Profile of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium
Property Insights of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium. With a topological polar surface area (TPSA) of 58.8 Ų, 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium has 1 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 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium?
The CAS number of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium is 1391193-53-5.
What is the molecular formula of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium?
The molecular formula of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium is C23H20NO4+.
What is the molecular weight of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium?
The molecular weight of 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium is 374.14 g/mol.
Where can I buy 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium?
You can request a quote for 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.