3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate
TL;DR: 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate (CAS 316125-54-9) is a chemical compound with molecular formula C23H15ClO5 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-methylphenoxy)-4-oxochromen-7-yl] 3-chlorobenzoate
Also Known As: 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate, [3-(3-methylphenoxy)-4-oxochromen-7-yl] 3-chlorobenzoate, AE-641/40790055, 3-(3-methylphenoxy)-4-oxochromen-7-yl 3-chlorobenzoate, 4-oxo-3-(m-tolyloxy)-4H-chromen-7-yl 3-chlorobenzoate
| Molecular Formula | C23H15ClO5 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 5.76632 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0608 |
| Heavy Atoms | 29 |
| Complexity | 1275.7479 |
Chemical Identifiers
| CAS Number | 316125-54-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Cl |
Product Overview
3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate (CAS 316125-54-9), with molecular formula C23H15ClO5 and molecular weight 406.06 g/mol. IUPAC: [3-(3-methylphenoxy)-4-oxochromen-7-yl] 3-chlorobenzoate.
Chemical Property Profile of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate
Property Insights of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate
The XLogP value of 5.76632 indicates that 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate. Following Lipinski's Rule of Five, 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate?
The CAS number of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate is 316125-54-9.
What is the molecular formula of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate?
The molecular formula of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate is C23H15ClO5.
What is the molecular weight of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate?
The molecular weight of 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate is 406.06 g/mol.
Where can I buy 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate?
You can request a quote for 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.