rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
TL;DR: rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one (CAS 37081-59-7) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
Also Known As: (1R,2R,4S,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one, rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one, (1beta,5beta)-2beta,4beta-Dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one, (1S,5alpha)-2alpha,4alpha-Dimethyl-8-oxabicyclo[3.2.1]octa-6-ene-3-one, rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.1649 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 199.60262 |
Chemical Identifiers
| CAS Number | 37081-59-7 |
|---|---|
| SMILES | C[C@@H]1[C@H]2C=C[C@H](O2)[C@@H](C1=O)C |
Product Overview
rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one (CAS 37081-59-7), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: (1S,2S,4R,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
Chemical Property Profile of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
Property Insights of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
The XLogP value of 1.1649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one 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 rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one?
The CAS number of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one is 37081-59-7.
What is the molecular formula of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one?
The molecular formula of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one is C9H12O2.
What is the molecular weight of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one?
The molecular weight of rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one is 152.08 g/mol.
Where can I buy rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one?
You can request a quote for rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.