4-Pentenoic acid butyl ester
TL;DR: 4-Pentenoic acid butyl ester (CAS 22874-80-2) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl pent-4-enoate
Also Known As: 4-Pentenoic acid butyl ester, butyl pent-4-enoate, 4-Pentenoic acid, butyl ester, J1.354.160D, RefChem:295330
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 22874-80-2 |
|---|---|
| SMILES | CCCCOC(=O)CCC=C |
| InChIKey | FSTRNYPZAMXNTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenoic acid butyl ester (CAS 22874-80-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: butyl pent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid butyl ester
Property Insights of 4-Pentenoic acid butyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid butyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenoic acid butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid butyl ester has 0 hydrogen bond donor(s) and 2 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-Pentenoic acid butyl ester?
The CAS number of 4-Pentenoic acid butyl ester is 22874-80-2.
What is the molecular formula of 4-Pentenoic acid butyl ester?
The molecular formula of 4-Pentenoic acid butyl ester is C9H16O2.
What is the molecular weight of 4-Pentenoic acid butyl ester?
The molecular weight of 4-Pentenoic acid butyl ester is 156.12 g/mol.
Where can I buy 4-Pentenoic acid butyl ester?
You can request a quote for 4-Pentenoic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.