新癸酸苄酯
TL;DR: 新癸酸苄酯 (CAS 66794-75-0) 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.
新癸酸苄酯
benzyl 7,7-dimethyloctanoate
Also Known As: Benzyl neocaprate, Benzyl neodecanoate, benzylneodecanoate, benzyl 7,7-dimethyloctanoate, Neodecanoic acid, phenylmethyl ester
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.3 |
| 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 | 246.0 |
Chemical Identifiers
| CAS Number | 66794-75-0 |
|---|---|
| SMILES | CC(C)(C)CCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | YBWIAFJEJVDRGT-UHFFFAOYSA-N |
Product Overview
新癸酸苄酯 (CAS 66794-75-0), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: benzyl 7,7-dimethyloctanoate.
Chemical Property Profile of 新癸酸苄酯
Property Insights of 新癸酸苄酯
The XLogP value of 5.3 indicates that 新癸酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 新癸酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新癸酸苄酯 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 新癸酸苄酯?
The CAS number of 新癸酸苄酯 is 66794-75-0.
What is the molecular formula of 新癸酸苄酯?
The molecular formula of 新癸酸苄酯 is C17H26O2.
What is the molecular weight of 新癸酸苄酯?
The molecular weight of 新癸酸苄酯 is 262.19 g/mol.
Where can I buy 新癸酸苄酯?
You can request a quote for 新癸酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新癸酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 新癸酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.