(3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate
TL;DR: (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate (CAS 112474-15-4) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate
Also Known As: (3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate, (3-Phenoxyphenyl)methyl 2-(propan-2-yl)pentanoate, 2-Propylisovaleric acid 3-phenoxybenzyl ester
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 112474-15-4 |
|---|---|
| SMILES | CCCC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | OPURXVVESNPMAG-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate (CAS 112474-15-4), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate
Property Insights of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate
The XLogP value of 6.3 indicates that (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate 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-propan-2-ylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate 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-propan-2-ylpentanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate is 112474-15-4.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate is C21H26O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate is 326.19 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate 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-propan-2-ylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 2-propan-2-ylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.