Octyl benzyl succinate
TL;DR: Octyl benzyl succinate (CAS 119450-16-7) is a chemical compound with molecular formula C19H28O4 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 1-O-octyl butanedioate
Also Known As: Octyl benzyl succinate, Benzyl octyl butanedioate, 1-Benzyl 4-octyl succinate, 1-Benzyl 4-octyl succinate #, 4-O-benzyl 1-O-octyl butanedioate
| Molecular Formula | C19H28O4 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 320.19876 |
| Heavy Atoms | 23 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 119450-16-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | JKDPVSKXVPWGCQ-UHFFFAOYSA-N |
Product Overview
Octyl benzyl succinate (CAS 119450-16-7), with molecular formula C19H28O4 and molecular weight 320.20 g/mol. IUPAC: 4-O-benzyl 1-O-octyl butanedioate.
Chemical Property Profile of Octyl benzyl succinate
Property Insights of Octyl benzyl succinate
The XLogP value of 4.8 indicates that Octyl benzyl succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octyl benzyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl benzyl succinate has 0 hydrogen bond donor(s) and 4 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 Octyl benzyl succinate?
The CAS number of Octyl benzyl succinate is 119450-16-7.
What is the molecular formula of Octyl benzyl succinate?
The molecular formula of Octyl benzyl succinate is C19H28O4.
What is the molecular weight of Octyl benzyl succinate?
The molecular weight of Octyl benzyl succinate is 320.20 g/mol.
Where can I buy Octyl benzyl succinate?
You can request a quote for Octyl benzyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl benzyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Octyl benzyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.