Oct-3-yn-1-yl hept-2-ynoate
TL;DR: Oct-3-yn-1-yl hept-2-ynoate (CAS 65072-25-5) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-3-ynyl hept-2-ynoate
Also Known As: oct-3-yn-1-yl hept-2-ynoate, oct-3-ynyl hept-2-ynoate, 2-Heptynoic acid,3-octyn-1-yl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 65072-25-5 |
|---|---|
| SMILES | CCCCC#CCCOC(=O)C#CCCCC |
| InChIKey | KXLPXAUDQJPZKD-UHFFFAOYSA-N |
Product Overview
Oct-3-yn-1-yl hept-2-ynoate (CAS 65072-25-5), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: oct-3-ynyl hept-2-ynoate.
Chemical Property Profile of Oct-3-yn-1-yl hept-2-ynoate
Property Insights of Oct-3-yn-1-yl hept-2-ynoate
The XLogP value of 5.2 indicates that Oct-3-yn-1-yl 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, Oct-3-yn-1-yl hept-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-3-yn-1-yl hept-2-ynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oct-3-yn-1-yl hept-2-ynoate?
The CAS number of Oct-3-yn-1-yl hept-2-ynoate is 65072-25-5.
What is the molecular formula of Oct-3-yn-1-yl hept-2-ynoate?
The molecular formula of Oct-3-yn-1-yl hept-2-ynoate is C15H22O2.
What is the molecular weight of Oct-3-yn-1-yl hept-2-ynoate?
The molecular weight of Oct-3-yn-1-yl hept-2-ynoate is 234.16 g/mol.
Where can I buy Oct-3-yn-1-yl hept-2-ynoate?
You can request a quote for Oct-3-yn-1-yl 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 Oct-3-yn-1-yl hept-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Oct-3-yn-1-yl hept-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.