Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate
TL;DR: Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate (CAS 347366-13-6) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetate
Also Known As: isopropyl 2-((4-oxo-3-(m-tolyloxy)-4H-chromen-7-yl)oxy)acetate, methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate, propan-2-yl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate, PROPAN-2-YL 2-{[3-(3-METHYLPHENOXY)-4-OXO-4H-CHROMEN-7-YL]OXY}ACETATE
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.22412 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 1018.6007 |
Chemical Identifiers
| CAS Number | 347366-13-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)OC(C)C |
Product Overview
Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate (CAS 347366-13-6), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: propan-2-yl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate
Property Insights of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate
The XLogP value of 4.22412 indicates that Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate. Following Lipinski's Rule of Five, Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate has 0 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 Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate?
The CAS number of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate is 347366-13-6.
What is the molecular formula of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate?
The molecular formula of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate is C21H20O6.
What is the molecular weight of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate?
The molecular weight of Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate is 368.13 g/mol.
Where can I buy Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate?
You can request a quote for Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.