Buten-2-yl hexanoate
TL;DR: Buten-2-yl hexanoate (CAS 94291-54-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enyl hexanoate
Also Known As: Buten-2-yl hexanoate, but-1-en-2-yl hexanoate, but-2-en-1-yl hexanoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 94291-54-0 |
|---|---|
| SMILES | CCCCCC(=O)OCC=CC |
| InChIKey | GVNVILDVKWMWLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buten-2-yl hexanoate (CAS 94291-54-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: but-2-enyl hexanoate.
Chemical Property Profile of Buten-2-yl hexanoate
Property Insights of Buten-2-yl hexanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buten-2-yl hexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Buten-2-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buten-2-yl hexanoate 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 Buten-2-yl hexanoate?
The CAS number of Buten-2-yl hexanoate is 94291-54-0.
What is the molecular formula of Buten-2-yl hexanoate?
The molecular formula of Buten-2-yl hexanoate is C10H18O2.
What is the molecular weight of Buten-2-yl hexanoate?
The molecular weight of Buten-2-yl hexanoate is 170.13 g/mol.
Where can I buy Buten-2-yl hexanoate?
You can request a quote for Buten-2-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buten-2-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Buten-2-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.