2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid
TL;DR: 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid (CAS 864820-54-2) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetic acid
Also Known As: 2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetic acid, 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid, 2-(1-hydroxy-5-methoxy-9-oxo-xanthen-3-yl)oxyacetic Acid, [(1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy]acetic acid
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.1238 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 971.47253 |
Chemical Identifiers
| CAS Number | 864820-54-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC(=O)O |
Product Overview
2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid (CAS 864820-54-2), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetic acid.
Chemical Property Profile of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid
Property Insights of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid
The XLogP value of 2.1238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid. Following Lipinski's Rule of Five, 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic 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-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid?
The CAS number of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid is 864820-54-2.
What is the molecular formula of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid?
The molecular formula of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid is C16H12O7.
What is the molecular weight of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid?
The molecular weight of 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid is 316.06 g/mol.
Where can I buy 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid?
You can request a quote for 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.