Butyl hept-2-ynoate
TL;DR: Butyl hept-2-ynoate (CAS 41519-03-3) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl hept-2-ynoate
Also Known As: butyl hept-2-ynoate, n-butyl 2-heptynoate, Benzene,1-[(isocyanomethyl)thio]-4-methyl, RefChem:331047
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 41519-03-3 |
|---|---|
| SMILES | CCCCC#CC(=O)OCCCC |
| InChIKey | AUMDAJWLOGHKFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl hept-2-ynoate (CAS 41519-03-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: butyl hept-2-ynoate.
Chemical Property Profile of Butyl hept-2-ynoate
Property Insights of Butyl hept-2-ynoate
The XLogP value of 3.9 indicates that Butyl hept-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl hept-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl hept-2-ynoate 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 hept-2-ynoate?
The CAS number of Butyl hept-2-ynoate is 41519-03-3.
What is the molecular formula of Butyl hept-2-ynoate?
The molecular formula of Butyl hept-2-ynoate is C11H18O2.
What is the molecular weight of Butyl hept-2-ynoate?
The molecular weight of Butyl hept-2-ynoate is 182.13 g/mol.
Where can I buy Butyl hept-2-ynoate?
You can request a quote for Butyl hept-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl hept-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl hept-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.