2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid
TL;DR: 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid (CAS 3326-31-6) is a chemical compound with molecular formula C21H11NO5S and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxy-6-oxoxanthen-9-yl)-4-isothiocyanatobenzoic acid
Also Known As: 6-FITC, 6-Isothiocyanato-Fluorescein, fluorescein 6-isothiocyanate, 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid, HY-W589849
| Molecular Formula | C21H11NO5S |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 4.7029 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.0358 |
| Heavy Atoms | 28 |
| Complexity | 1334.587 |
Chemical Identifiers
| CAS Number | 3326-31-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O |
Product Overview
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid (CAS 3326-31-6), with molecular formula C21H11NO5S and molecular weight 389.04 g/mol. IUPAC: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-isothiocyanatobenzoic acid.
Chemical Property Profile of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid
Property Insights of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid
The XLogP value of 4.7029 indicates that 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid. Following Lipinski's Rule of Five, 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid has 2 hydrogen bond donor(s) and 6 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 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid?
The CAS number of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid is 3326-31-6.
What is the molecular formula of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid?
The molecular formula of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid is C21H11NO5S.
What is the molecular weight of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid?
The molecular weight of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid is 389.04 g/mol.
Where can I buy 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid?
You can request a quote for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-4-isothiocyanatobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.