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1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate
TL;DR: 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate (CAS 5436-63-5) 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.
1-(2-butan-2-ylphenoxy)propan-2-yl 2-phenylacetate
Also Known As: 1-[2-(butan-2-yl)phenoxy]propan-2-yl phenylacetate, KST-1B6503, 1-(2-butan-2-ylphenoxy)propan-2-yl 2-phenylacetate
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 5.5 |
| 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 | 362.0 |
Chemical Identifiers
| CAS Number | 5436-63-5 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OCC(C)OC(=O)CC2=CC=CC=C2 |
| InChIKey | FCAYWXFELFRLKO-UHFFFAOYSA-N |
Product Overview
1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate (CAS 5436-63-5), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 1-(2-butan-2-ylphenoxy)propan-2-yl 2-phenylacetate.
Chemical Property Profile of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate
Property Insights of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate
The XLogP value of 5.5 indicates that 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate 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 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate?
The CAS number of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate is 5436-63-5.
What is the molecular formula of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate?
The molecular formula of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate is C21H26O3.
What is the molecular weight of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate?
The molecular weight of 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate is 326.19 g/mol.
Where can I buy 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate?
You can request a quote for 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Butan-2-yl)phenoxy]propan-2-yl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.