![methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate structure](/static/products/858/858753-94-3.png)
methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate
TL;DR: methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate (CAS 858753-94-3) is a chemical compound with molecular formula C25H28O5 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-[(4-tert-butylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetate
Also Known As: EiM07-16583, methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate, methyl 2-(7-((4-(tert-butyl)benzyl)oxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate, methyl 2-[7-[(4-tert-butylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetate, METHYL 2-{7-[(4-TERT-BUTYLPHENYL)METHOXY]-4,8-DIMETHYL-2-OXO-2H-CHROMEN-3-YL}ACETATE
| Molecular Formula | C25H28O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 5.00184 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.19366 |
| Heavy Atoms | 30 |
| Complexity | 1131.3883 |
Chemical Identifiers
| CAS Number | 858753-94-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(C)(C)C)CC(=O)OC |
Product Overview
methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate (CAS 858753-94-3), with molecular formula C25H28O5 and molecular weight 408.19 g/mol. IUPAC: methyl 2-[7-[(4-tert-butylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetate.
Chemical Property Profile of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate
Property Insights of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate
The XLogP value of 5.00184 indicates that methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate 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 methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate. Following Lipinski's Rule of Five, methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate 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 methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate?
The CAS number of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate is 858753-94-3.
What is the molecular formula of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate?
The molecular formula of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate is C25H28O5.
What is the molecular weight of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate?
The molecular weight of methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate is 408.19 g/mol.
Where can I buy methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate?
You can request a quote for methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {7-[(4-tert-butylbenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.