Benzyl 2,2-dimethyloctanoate
TL;DR: Benzyl 2,2-dimethyloctanoate (CAS 81325-79-3) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2-dimethyloctanoate
Also Known As: BDOT, BENZYL 2,2-DIMETHYLOCTANOATE, 2,2-Dimethyloctanoic acid benzyl ester, Octanoic acid, 2,2-dimethyl-, phenylmethyl ester, J1.591.956F
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 81325-79-3 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | ZGWYSKCFFPGGPS-UHFFFAOYSA-N |
Product Overview
Benzyl 2,2-dimethyloctanoate (CAS 81325-79-3), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: benzyl 2,2-dimethyloctanoate.
Chemical Property Profile of Benzyl 2,2-dimethyloctanoate
Property Insights of Benzyl 2,2-dimethyloctanoate
The XLogP value of 5.5 indicates that Benzyl 2,2-dimethyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2,2-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,2-dimethyloctanoate 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 Benzyl 2,2-dimethyloctanoate?
The CAS number of Benzyl 2,2-dimethyloctanoate is 81325-79-3.
What is the molecular formula of Benzyl 2,2-dimethyloctanoate?
The molecular formula of Benzyl 2,2-dimethyloctanoate is C17H26O2.
What is the molecular weight of Benzyl 2,2-dimethyloctanoate?
The molecular weight of Benzyl 2,2-dimethyloctanoate is 262.19 g/mol.
Where can I buy Benzyl 2,2-dimethyloctanoate?
You can request a quote for Benzyl 2,2-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,2-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,2-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.