isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate
TL;DR: isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate (CAS 864820-39-3) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetate
Also Known As: isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate, propan-2-yl 2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetate, propan-2-yl [(1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy]acetate
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.9908 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 1033.4025 |
Chemical Identifiers
| CAS Number | 864820-39-3 |
|---|---|
| SMILES | CC(C)OC(=O)COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3OC)O |
Product Overview
isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate (CAS 864820-39-3), with molecular formula C19H18O7 and molecular weight 358.11 g/mol. IUPAC: propan-2-yl 2-(1-hydroxy-5-methoxy-9-oxoxanthen-3-yl)oxyacetate.
Chemical Property Profile of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate
Property Insights of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate
The XLogP value of 2.9908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate. Following Lipinski's Rule of Five, isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate has 1 hydrogen bond donor(s) and 7 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 isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The CAS number of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate is 864820-39-3.
What is the molecular formula of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The molecular formula of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate is C19H18O7.
What is the molecular weight of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate?
The molecular weight of isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate is 358.11 g/mol.
Where can I buy isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate?
You can request a quote for isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((1-hydroxy-5-methoxy-9-oxo-9H-xanthen-3-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.