4-Isoavenaciolide
TL;DR: 4-Isoavenaciolide (CAS 3840-27-5) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,6aR)-3-methylidene-4-octyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Also Known As: Isoavenaciolide, 4-Isoavenaciolide, Avenaciolide, (-)-Isoavenaciolide, 4-iA cpd
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 3840-27-5 |
|---|---|
| SMILES | CCCCCCCC[C@H]1[C@@H]2[C@H](C(=O)O1)OC(=O)C2=C |
| InChIKey | GSTQYRQXFPSWSH-YNEHKIRRSA-N |
Product Overview
4-Isoavenaciolide (CAS 3840-27-5), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (3aR,4S,6aR)-3-methylidene-4-octyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione.
Chemical Property Profile of 4-Isoavenaciolide
Property Insights of 4-Isoavenaciolide
The XLogP value of 4.3 indicates that 4-Isoavenaciolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Isoavenaciolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoavenaciolide has 0 hydrogen bond donor(s) and 4 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 4-Isoavenaciolide?
The CAS number of 4-Isoavenaciolide is 3840-27-5.
What is the molecular formula of 4-Isoavenaciolide?
The molecular formula of 4-Isoavenaciolide is C15H22O4.
What is the molecular weight of 4-Isoavenaciolide?
The molecular weight of 4-Isoavenaciolide is 266.15 g/mol.
Where can I buy 4-Isoavenaciolide?
You can request a quote for 4-Isoavenaciolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoavenaciolide?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoavenaciolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.