Butyl-propylidenacetat
TL;DR: Butyl-propylidenacetat (CAS 156248-32-7) 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-2-enoate
Also Known As: Butyl-propylidenacetat, Pentenoic acid, butyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.6 |
| 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 | 156248-32-7 |
|---|---|
| SMILES | CCCCOC(=O)C=CCC |
| InChIKey | URYUTJWQTWWCCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl-propylidenacetat (CAS 156248-32-7), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: butyl pent-2-enoate.
Chemical Property Profile of Butyl-propylidenacetat
Property Insights of Butyl-propylidenacetat
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl-propylidenacetat. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl-propylidenacetat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl-propylidenacetat 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 Butyl-propylidenacetat?
The CAS number of Butyl-propylidenacetat is 156248-32-7.
What is the molecular formula of Butyl-propylidenacetat?
The molecular formula of Butyl-propylidenacetat is C9H16O2.
What is the molecular weight of Butyl-propylidenacetat?
The molecular weight of Butyl-propylidenacetat is 156.12 g/mol.
Where can I buy Butyl-propylidenacetat?
You can request a quote for Butyl-propylidenacetat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl-propylidenacetat?
Yes, KEHONG BIO provides custom synthesis services for Butyl-propylidenacetat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.