Benzeneacetic acid, dodecyl ester
TL;DR: Benzeneacetic acid, dodecyl ester (CAS 94760-90-4) is a chemical compound with molecular formula C20H32O2 and molecular weight 304.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-phenylacetate
Also Known As: Dodecyl phenylacetate, dodecyl 2-phenylacetate, Benzeneacetic acid, dodecyl ester, Dodecyl phenylacetate #, Benzeneaceticacid,dodecylester
| Molecular Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.24 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 304.24023 |
| Heavy Atoms | 22 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 94760-90-4 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | BSOPSBIGIYEHGT-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, dodecyl ester (CAS 94760-90-4), with molecular formula C20H32O2 and molecular weight 304.24 g/mol. IUPAC: dodecyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, dodecyl ester
Property Insights of Benzeneacetic acid, dodecyl ester
The XLogP value of 7.5 indicates that Benzeneacetic acid, dodecyl 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, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, dodecyl 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, dodecyl ester?
The CAS number of Benzeneacetic acid, dodecyl ester is 94760-90-4.
What is the molecular formula of Benzeneacetic acid, dodecyl ester?
The molecular formula of Benzeneacetic acid, dodecyl ester is C20H32O2.
What is the molecular weight of Benzeneacetic acid, dodecyl ester?
The molecular weight of Benzeneacetic acid, dodecyl ester is 304.24 g/mol.
Where can I buy Benzeneacetic acid, dodecyl ester?
You can request a quote for Benzeneacetic acid, dodecyl 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, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.