(3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
TL;DR: (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate (CAS 112473-81-1) is a chemical compound with molecular formula C25H26O4 and molecular weight 390.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
Also Known As: (3-phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate, Benzeneacetic acid, 4-methoxy-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methyl-butanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.1831 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.1831 Da |
| Heavy Atoms | 29 |
| Complexity | 477.0 |
| SMILES | CC(C)C(C1=CC=C(C=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | GSHYEWYUVCOGFD-UHFFFAOYSA-N |
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
Property Insights of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
The XLogP value of 6.1 indicates that (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate is 112473-81-1.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate is C25H26O4.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate is 390.1831 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for (3-Phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.