1-(2-Furyl)hept-2-yn-1-one
TL;DR: 1-(2-Furyl)hept-2-yn-1-one (CAS 97037-90-6) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)hept-2-yn-1-one
Also Known As: 1-(furan-2-yl)hept-2-yn-1-one, 1-(2-furyl)hept-2-yn-1-one, (1-Hexynyl)(2-furyl) ketone, 1-(2-furyl)-2-heptyn-1-one, 1-(2-Furyl)-2-heptyne-1-one
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 97037-90-6 |
|---|---|
| SMILES | CCCCC#CC(=O)C1=CC=CO1 |
| InChIKey | XEFGMANESJQNHF-UHFFFAOYSA-N |
Product Overview
1-(2-Furyl)hept-2-yn-1-one (CAS 97037-90-6), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-(furan-2-yl)hept-2-yn-1-one.
Chemical Property Profile of 1-(2-Furyl)hept-2-yn-1-one
Property Insights of 1-(2-Furyl)hept-2-yn-1-one
The XLogP value of 3.0 indicates that 1-(2-Furyl)hept-2-yn-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, 1-(2-Furyl)hept-2-yn-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Furyl)hept-2-yn-1-one 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 1-(2-Furyl)hept-2-yn-1-one?
The CAS number of 1-(2-Furyl)hept-2-yn-1-one is 97037-90-6.
What is the molecular formula of 1-(2-Furyl)hept-2-yn-1-one?
The molecular formula of 1-(2-Furyl)hept-2-yn-1-one is C11H12O2.
What is the molecular weight of 1-(2-Furyl)hept-2-yn-1-one?
The molecular weight of 1-(2-Furyl)hept-2-yn-1-one is 176.08 g/mol.
Where can I buy 1-(2-Furyl)hept-2-yn-1-one?
You can request a quote for 1-(2-Furyl)hept-2-yn-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Furyl)hept-2-yn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Furyl)hept-2-yn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.