6beta,8beta-Dihydroxyeremophilenolide
TL;DR: 6beta,8beta-Dihydroxyeremophilenolide (CAS 107693-94-7) 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.
(4S,4aR,5S,8aR,9aS)-4,9a-dihydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
Also Known As: 6beta,8beta-Dihydroxyeremophilenolide, 6beta,8-Dihydroxyeremophil-7(11)-en-12,8-olide, J1.311.140E, 6??,8-Dihydroxyeremophil-7(11)-en-12,8-olide, 6beta,8beta-Dihydroxyeremophil-7(11)-en-12,8alpha-olide
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 107693-94-7 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@]3(C2)O)C)O)C |
| InChIKey | HOZOKRDCQVUMIA-BDUWQXIASA-N |
Product Overview
6beta,8beta-Dihydroxyeremophilenolide (CAS 107693-94-7), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (4S,4aR,5S,8aR,9aS)-4,9a-dihydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of 6beta,8beta-Dihydroxyeremophilenolide
Property Insights of 6beta,8beta-Dihydroxyeremophilenolide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6beta,8beta-Dihydroxyeremophilenolide. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6beta,8beta-Dihydroxyeremophilenolide. Following Lipinski's Rule of Five, 6beta,8beta-Dihydroxyeremophilenolide has 2 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 6beta,8beta-Dihydroxyeremophilenolide?
The CAS number of 6beta,8beta-Dihydroxyeremophilenolide is 107693-94-7.
What is the molecular formula of 6beta,8beta-Dihydroxyeremophilenolide?
The molecular formula of 6beta,8beta-Dihydroxyeremophilenolide is C15H22O4.
What is the molecular weight of 6beta,8beta-Dihydroxyeremophilenolide?
The molecular weight of 6beta,8beta-Dihydroxyeremophilenolide is 266.15 g/mol.
Where can I buy 6beta,8beta-Dihydroxyeremophilenolide?
You can request a quote for 6beta,8beta-Dihydroxyeremophilenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta,8beta-Dihydroxyeremophilenolide?
Yes, KEHONG BIO provides custom synthesis services for 6beta,8beta-Dihydroxyeremophilenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.