pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate structure

pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

TL;DR: pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate (CAS 329225-29-8) is a chemical compound with molecular formula C23H24O6 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

pentyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetate

Also Known As: pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate, pentyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetate, AF-399/15286821, pentyl 2-((4-oxo-3-(m-tolyloxy)-4H-chromen-7-yl)oxy)acetate, pentyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yloxy]acetate

CAS: 329225-29-8
Molecular Formula C23H24O6
Molecular Weight 396.16 g/mol
LogP 5.00592
Topological Polar Surface Area 74.97 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 396.1573
Heavy Atoms 29
Complexity 1036.9626

Chemical Identifiers

CAS Number 329225-29-8
SMILES CCCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC(=C3)C

Product Overview

pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate (CAS 329225-29-8), with molecular formula C23H24O6 and molecular weight 396.16 g/mol. IUPAC: pentyl 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetate.

🧪
Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

Chemical Property Profile of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

XLogP
5.00592
TPSA (Topological Polar Surface Area)
74.97
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
9
Heavy Atoms
29
Complexity
1036.9626
Exact Mass
396.1573
Monoisotopic Mass
396.1573
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

The XLogP value of 5.00592 indicates that pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}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 pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate. Following Lipinski's Rule of Five, pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate?

The CAS number of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate is 329225-29-8.

What is the molecular formula of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate?

The molecular formula of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate is C23H24O6.

What is the molecular weight of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate?

The molecular weight of pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate is 396.16 g/mol.

Where can I buy pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate?

You can request a quote for pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-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 pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate?

Yes, KEHONG BIO provides custom synthesis services for pentyl {[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

🤖 科弘生物 AI 助手 ×
您好!我是 科弘生物 AI 助手。可以问我产品搜索、询价、样品或技术问题。如何帮助您?