9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium
TL;DR: 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium (CAS 70672-08-1) is a chemical compound with molecular formula C20H13O5+ and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoic acid
Also Known As: Fluorescin, 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium, 3,6-Dihydroxy-9-(2-carboxylatophenyl)xanthylium, 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthen-10-ium, 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoic acid
| Molecular Formula | C20H13O5+ |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.6435 |
| Topological Polar Surface Area | 89.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0763 |
| Heavy Atoms | 25 |
| Complexity | 1087.562 |
Chemical Identifiers
| CAS Number | 70672-08-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)O |
Product Overview
9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium (CAS 70672-08-1), with molecular formula C20H13O5+ and molecular weight 333.08 g/mol. IUPAC: 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoic acid.
Chemical Property Profile of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium
Property Insights of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium
The XLogP value of 4.6435 indicates that 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium. Following Lipinski's Rule of Five, 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium has 3 hydrogen bond donor(s) and 3 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 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium?
The CAS number of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium is 70672-08-1.
What is the molecular formula of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium?
The molecular formula of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium is C20H13O5+.
What is the molecular weight of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium?
The molecular weight of 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium is 333.08 g/mol.
Where can I buy 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium?
You can request a quote for 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxyphenyl)-3,6-dihydroxyxanthylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.