Propan-2-yl oct-2-ynoate
TL;DR: Propan-2-yl oct-2-ynoate (CAS 74714-07-1) 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.
propan-2-yl oct-2-ynoate
Also Known As: propan-2-yl oct-2-ynoate, oct-2-ynoic acid isopropyl ester, 2-Octynoic acid isopropyl ester, J1.499.794F, RefChem:373966
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 74714-07-1 |
|---|---|
| SMILES | CCCCCC#CC(=O)OC(C)C |
| InChIKey | ONTYLWPDAOHGCZ-UHFFFAOYSA-N |
Product Overview
Propan-2-yl oct-2-ynoate (CAS 74714-07-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: propan-2-yl oct-2-ynoate.
Chemical Property Profile of Propan-2-yl oct-2-ynoate
Property Insights of Propan-2-yl oct-2-ynoate
The XLogP value of 4.0 indicates that Propan-2-yl oct-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, Propan-2-yl oct-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl oct-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 Propan-2-yl oct-2-ynoate?
The CAS number of Propan-2-yl oct-2-ynoate is 74714-07-1.
What is the molecular formula of Propan-2-yl oct-2-ynoate?
The molecular formula of Propan-2-yl oct-2-ynoate is C11H18O2.
What is the molecular weight of Propan-2-yl oct-2-ynoate?
The molecular weight of Propan-2-yl oct-2-ynoate is 182.13 g/mol.
Where can I buy Propan-2-yl oct-2-ynoate?
You can request a quote for Propan-2-yl oct-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl oct-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl oct-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.