(3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate
TL;DR: (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate (CAS 112473-89-9) 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 2-benzyl-3-methylbutanoate
Also Known As: (3-phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate, (3-phenoxyphenyl)methyl 2-benzyl-3-methyl-butanoate, Benzenepropanoic acid, alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C25H26O3 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.1882 |
| Heavy Atoms | 28 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 112473-89-9 |
|---|---|
| SMILES | CC(C)C(CC1=CC=CC=C1)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | XFUKSQJIBCCKMT-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate (CAS 112473-89-9), with molecular formula C25H26O3 and molecular weight 374.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate
Property Insights of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate
The XLogP value of 6.4 indicates that (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate 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 2-benzyl-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate 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 2-benzyl-3-methylbutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate is 112473-89-9.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate is C25H26O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate is 374.19 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate 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 2-benzyl-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 2-benzyl-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.