5-亚丁基呋喃-2(5H)-酮
TL;DR: 5-亚丁基呋喃-2(5H)-酮 (CAS 18338-88-0) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-亚丁基呋喃-2(5H)-酮
5-butylidenefuran-2-one
Also Known As: 5-butylidenefuran-2-one, 5-Butylidenefuran-2(5H)-one, 5-butylidene-5H-furan-2-one, (5E)-5-butylidenefuran-2-one, 242-218-0
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 18338-88-0 |
|---|---|
| SMILES | CCCC=C1C=CC(=O)O1 |
| InChIKey | PZXBJHQMLTXRDW-UHFFFAOYSA-N |
Product Overview
5-亚丁基呋喃-2(5H)-酮 (CAS 18338-88-0), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 5-butylidenefuran-2-one.
Chemical Property Profile of 5-亚丁基呋喃-2(5H)-酮
Property Insights of 5-亚丁基呋喃-2(5H)-酮
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-亚丁基呋喃-2(5H)-酮. With a topological polar surface area (TPSA) of 26.3 Ų, 5-亚丁基呋喃-2(5H)-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-亚丁基呋喃-2(5H)-酮 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 5-亚丁基呋喃-2(5H)-酮?
The CAS number of 5-亚丁基呋喃-2(5H)-酮 is 18338-88-0.
What is the molecular formula of 5-亚丁基呋喃-2(5H)-酮?
The molecular formula of 5-亚丁基呋喃-2(5H)-酮 is C8H10O2.
What is the molecular weight of 5-亚丁基呋喃-2(5H)-酮?
The molecular weight of 5-亚丁基呋喃-2(5H)-酮 is 138.07 g/mol.
Where can I buy 5-亚丁基呋喃-2(5H)-酮?
You can request a quote for 5-亚丁基呋喃-2(5H)-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-亚丁基呋喃-2(5H)-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-亚丁基呋喃-2(5H)-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.