(3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
TL;DR: (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate (CAS 112473-80-0) is a chemical compound with molecular formula C25H26O3 and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
Also Known As: m-Phenoxybenzyl 3-methyl-2-p-tolylbutyrate, (3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate, Benzeneacetic acid, 4-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, RefChem:1050121
| Molecular Formula | C25H26O3 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.1882 |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 112473-80-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | OGZRPUCCXQXGLD-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate (CAS 112473-80-0), with molecular formula C25H26O3 and molecular weight 374.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
Property Insights of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
The XLogP value of 6.5 indicates that (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is 112473-80-0.
What is the molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is C25H26O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate is 374.19 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.