methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
TL;DR: methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate (CAS 315233-45-5) is a chemical compound with molecular formula C18H14O6 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-hydroxy-2-methyl-4-oxochromen-3-yl)oxybenzoate
Also Known As: methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate, methyl 4-[(7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy]benzoate, 4-Nitro-1-thio-brenzcatechin-2-methylaether, AB00276576-02, methyl 4-(7-hydroxy-2-methyl-4-oxochromen-3-yl)oxybenzoate
| Molecular Formula | C18H14O6 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.38592 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.07904 |
| Heavy Atoms | 24 |
| Complexity | 969.2058 |
Chemical Identifiers
| CAS Number | 315233-45-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate (CAS 315233-45-5), with molecular formula C18H14O6 and molecular weight 326.08 g/mol. IUPAC: methyl 4-(7-hydroxy-2-methyl-4-oxochromen-3-yl)oxybenzoate.
Chemical Property Profile of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
Property Insights of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
The XLogP value of 3.38592 indicates that methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate has 1 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 methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The CAS number of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is 315233-45-5.
What is the molecular formula of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular formula of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is C18H14O6.
What is the molecular weight of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular weight of methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is 326.08 g/mol.
Where can I buy methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
You can request a quote for methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.