8beta-Hydroxyeremophilenolide
TL;DR: 8beta-Hydroxyeremophilenolide (CAS 73171-25-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
Also Known As: 8beta-Hydroxyeremophilenolide, Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aR,5S,8aR,9aR)-, (4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one, 9a-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one, (4aR,5S,8aR,9aR)-9a-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 73171-25-2 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1(CC3=C(C(=O)O[C@@]3(C2)O)C)C |
| InChIKey | QKYLNUXCPSRUNA-FOOGCRFISA-N |
Product Overview
8beta-Hydroxyeremophilenolide (CAS 73171-25-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (4aR,5S,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of 8beta-Hydroxyeremophilenolide
Property Insights of 8beta-Hydroxyeremophilenolide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8beta-Hydroxyeremophilenolide. With a topological polar surface area (TPSA) of 46.5 Ų, 8beta-Hydroxyeremophilenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8beta-Hydroxyeremophilenolide has 1 hydrogen bond donor(s) and 3 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 8beta-Hydroxyeremophilenolide?
The CAS number of 8beta-Hydroxyeremophilenolide is 73171-25-2.
What is the molecular formula of 8beta-Hydroxyeremophilenolide?
The molecular formula of 8beta-Hydroxyeremophilenolide is C15H22O3.
What is the molecular weight of 8beta-Hydroxyeremophilenolide?
The molecular weight of 8beta-Hydroxyeremophilenolide is 250.16 g/mol.
Where can I buy 8beta-Hydroxyeremophilenolide?
You can request a quote for 8beta-Hydroxyeremophilenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8beta-Hydroxyeremophilenolide?
Yes, KEHONG BIO provides custom synthesis services for 8beta-Hydroxyeremophilenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.