Benzeneacetic acid, decyl ester
TL;DR: Benzeneacetic acid, decyl ester (CAS 848727-32-2) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-phenylacetate
Also Known As: Decyl phenylacetate, decyl 2-phenylacetate, Benzeneacetic acid, decyl ester, Decyl phenylacetate #, Phenylacetic acid decyl ester
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 848727-32-2 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | AKKHCVAUQXJEOR-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, decyl ester (CAS 848727-32-2), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: decyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, decyl ester
Property Insights of Benzeneacetic acid, decyl ester
The XLogP value of 6.4 indicates that Benzeneacetic acid, decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, decyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, decyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, decyl ester?
The CAS number of Benzeneacetic acid, decyl ester is 848727-32-2.
What is the molecular formula of Benzeneacetic acid, decyl ester?
The molecular formula of Benzeneacetic acid, decyl ester is C18H28O2.
What is the molecular weight of Benzeneacetic acid, decyl ester?
The molecular weight of Benzeneacetic acid, decyl ester is 276.21 g/mol.
Where can I buy Benzeneacetic acid, decyl ester?
You can request a quote for Benzeneacetic acid, decyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, decyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.