Eremophilenolide
TL;DR: Eremophilenolide (CAS 4871-90-3) 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.
(4aR,5S,8aR,9aS)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Also Known As: Eremophilenolide, (4aR,5S,8aR,9aS)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one, (4aR,5S,8aR,9aS)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f]benzofuran-2-one, (4aR)-4a,5,6,7,8,8abeta,9,9abeta-Octahydro-3,4a,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one, (4AR,5S,8AR,9AS)-3,4A,5-TRIMETHYL-2H,4H,4AH,5H,6H,7H,8H,8AH,9H,9AH-NAPHTHO[2,3-B]FURAN-2-ONE
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 4871-90-3 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1(CC3=C(C(=O)O[C@H]3C2)C)C |
| InChIKey | AEQDXSFIHGWHDV-XPGAZNKBSA-N |
Product Overview
Eremophilenolide (CAS 4871-90-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4aR,5S,8aR,9aS)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one.
Chemical Property Profile of Eremophilenolide
Property Insights of Eremophilenolide
The XLogP value of 3.7 indicates that Eremophilenolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Eremophilenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eremophilenolide 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 Eremophilenolide?
The CAS number of Eremophilenolide is 4871-90-3.
What is the molecular formula of Eremophilenolide?
The molecular formula of Eremophilenolide is C15H22O2.
What is the molecular weight of Eremophilenolide?
The molecular weight of Eremophilenolide is 234.16 g/mol.
Where can I buy Eremophilenolide?
You can request a quote for Eremophilenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eremophilenolide?
Yes, KEHONG BIO provides custom synthesis services for Eremophilenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.