![(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane structure](/static/products/2378/23780-36-1.webp)
(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
TL;DR: (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane (CAS 23780-36-1) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
Also Known As: (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane, KST-1A3013, 7-Oxabicyclo(4.1.0)heptane, 2-tert-butyl-, trans-, J1.078.356I, (1S,2R,3R)-1,2-Epoxy-3-tert-butylcyclohexane
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 23780-36-1 |
|---|---|
| SMILES | CC(C)(C)[C@H]1CCC[C@H]2[C@@H]1O2 |
| InChIKey | SFXWZOTYAVHTJO-XHNCKOQMSA-N |
Product Overview
(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane (CAS 23780-36-1), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane.
Chemical Property Profile of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
Property Insights of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane. With a topological polar surface area (TPSA) of 12.5 Ų, (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane has 0 hydrogen bond donor(s) and 1 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 (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The CAS number of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane is 23780-36-1.
What is the molecular formula of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The molecular formula of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane is C10H18O.
What is the molecular weight of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The molecular weight of (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane is 154.14 g/mol.
Where can I buy (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
You can request a quote for (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.