4-Methylpentan-2-yl phenylacetate
TL;DR: 4-Methylpentan-2-yl phenylacetate (CAS 6278-40-6) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentan-2-yl 2-phenylacetate
Also Known As: 4-methylpentan-2-yl phenylacetate, 4-methylpentan-2-yl 2-phenylacetate, Benzeneacetic acid, 1,3-dimethylbutyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6278-40-6 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)CC1=CC=CC=C1 |
| InChIKey | POXZFBWKHWBHAR-UHFFFAOYSA-N |
Product Overview
4-Methylpentan-2-yl phenylacetate (CAS 6278-40-6), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 4-methylpentan-2-yl 2-phenylacetate.
Chemical Property Profile of 4-Methylpentan-2-yl phenylacetate
Property Insights of 4-Methylpentan-2-yl phenylacetate
The XLogP value of 3.8 indicates that 4-Methylpentan-2-yl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylpentan-2-yl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentan-2-yl phenylacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylpentan-2-yl phenylacetate?
The CAS number of 4-Methylpentan-2-yl phenylacetate is 6278-40-6.
What is the molecular formula of 4-Methylpentan-2-yl phenylacetate?
The molecular formula of 4-Methylpentan-2-yl phenylacetate is C14H20O2.
What is the molecular weight of 4-Methylpentan-2-yl phenylacetate?
The molecular weight of 4-Methylpentan-2-yl phenylacetate is 220.15 g/mol.
Where can I buy 4-Methylpentan-2-yl phenylacetate?
You can request a quote for 4-Methylpentan-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 4-Methylpentan-2-yl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentan-2-yl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.