4-Ethoxybutyl butanoate
TL;DR: 4-Ethoxybutyl butanoate (CAS 33931-68-9) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxybutyl butanoate
Also Known As: 4-ETHOXYBUTYL BUTANOATE
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 33931-68-9 |
|---|---|
| SMILES | CCCC(=O)OCCCCOCC |
| InChIKey | DJVAGHKTNXSRJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethoxybutyl butanoate (CAS 33931-68-9), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 4-ethoxybutyl butanoate.
Chemical Property Profile of 4-Ethoxybutyl butanoate
Property Insights of 4-Ethoxybutyl butanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxybutyl butanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Ethoxybutyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxybutyl butanoate has 0 hydrogen bond donor(s) and 3 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 4-Ethoxybutyl butanoate?
The CAS number of 4-Ethoxybutyl butanoate is 33931-68-9.
What is the molecular formula of 4-Ethoxybutyl butanoate?
The molecular formula of 4-Ethoxybutyl butanoate is C10H20O3.
What is the molecular weight of 4-Ethoxybutyl butanoate?
The molecular weight of 4-Ethoxybutyl butanoate is 188.14 g/mol.
Where can I buy 4-Ethoxybutyl butanoate?
You can request a quote for 4-Ethoxybutyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxybutyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxybutyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.