Pentyl 2-butenoate
TL;DR: Pentyl 2-butenoate (CAS 25415-76-3) 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.
pentyl but-2-enoate
Also Known As: Pentyl 2-butenoate, amyl crotonate, pentyl but-2-enoate, 2-Butenoic acid, pentylester, 2-Butenoic acid,pentyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 25415-76-3 |
|---|---|
| SMILES | CCCCCOC(=O)C=CC |
| InChIKey | PWYYERNADDIMJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-butenoate (CAS 25415-76-3), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: pentyl but-2-enoate.
Chemical Property Profile of Pentyl 2-butenoate
Property Insights of Pentyl 2-butenoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-butenoate 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 Pentyl 2-butenoate?
The CAS number of Pentyl 2-butenoate is 25415-76-3.
What is the molecular formula of Pentyl 2-butenoate?
The molecular formula of Pentyl 2-butenoate is C9H16O2.
What is the molecular weight of Pentyl 2-butenoate?
The molecular weight of Pentyl 2-butenoate is 156.12 g/mol.
Where can I buy Pentyl 2-butenoate?
You can request a quote for Pentyl 2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.