Butyl benzyl succinate
TL;DR: Butyl benzyl succinate (CAS 1223-37-6) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 1-O-butyl butanedioate
Also Known As: Butyl benzyl succinate, Benzyl butyl butanedioate, 1-Benzyl 4-butyl succinate, 1-Benzyl 4-butyl succinate #, 4-O-benzyl 1-O-butyl butanedioate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 1223-37-6 |
|---|---|
| SMILES | CCCCOC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | SISDVYCKRJTJHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl benzyl succinate (CAS 1223-37-6), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 4-O-benzyl 1-O-butyl butanedioate.
Chemical Property Profile of Butyl benzyl succinate
Property Insights of Butyl benzyl succinate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl benzyl succinate. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl benzyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl benzyl succinate?
The CAS number of Butyl benzyl succinate is 1223-37-6.
What is the molecular formula of Butyl benzyl succinate?
The molecular formula of Butyl benzyl succinate is C15H20O4.
What is the molecular weight of Butyl benzyl succinate?
The molecular weight of Butyl benzyl succinate is 264.14 g/mol.
Where can I buy Butyl benzyl succinate?
You can request a quote for Butyl benzyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl benzyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl benzyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.