(3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
TL;DR: (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one (CAS 169336-01-0) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
Also Known As: (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one, (3R,4S,5S,6S)-6-ethyl-4-hydroxy-3,5-dimethyl-oxan-2-one, 3alpha,5beta-Dimethyl-6beta-ethyl-4beta-hydroxytetrahydro-2H-pyran-2-one, (2R,3S,4R,5R)-3,5-Dihydroxy-2,4-dimethylheptanoic acid 1,5-lactone, (3R,4S,5R,6R)-6-Ethyl-4-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-one
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.9549 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 176.61246 |
Chemical Identifiers
| CAS Number | 169336-01-0 |
|---|---|
| SMILES | CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C |
Product Overview
(3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one (CAS 169336-01-0), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one.
Chemical Property Profile of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
Property Insights of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
The XLogP value of 0.9549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one. With a topological polar surface area (TPSA) of 46.53 Ų, (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one 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 (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one?
The CAS number of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one is 169336-01-0.
What is the molecular formula of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one?
The molecular formula of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one is C9H16O3.
What is the molecular weight of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one?
The molecular weight of (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one is 172.11 g/mol.
Where can I buy (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one?
You can request a quote for (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.