trans-Sabinyl acetate
TL;DR: trans-Sabinyl acetate (CAS 139757-62-3) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3S)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate
Also Known As: trans-Sabinyl acetate, Sabinyl acetate, (E)-Sabinyl acetate, ((1R,3S)-4-methylidene-1-propan-2-yl-3-bicyclo(3.1.0)hexanyl) acetate, (1S,3S,5S)-1-isopropyl-4-methylenebicyclo[3 .1.0]hexan-3-yl acetate
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
| SMILES | CC(C)[C@@]12C[C@@H](C(=C)C1C2)OC(=O)C |
| InChIKey | PBWRFXQNNGSAQG-GLXQMMQGSA-N |
Chemical Property Profile of trans-Sabinyl acetate
Property Insights of trans-Sabinyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Sabinyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, trans-Sabinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Sabinyl acetate 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
What is the CAS number of trans-Sabinyl acetate?
The CAS number of trans-Sabinyl acetate is 139757-62-3.
What is the molecular formula of trans-Sabinyl acetate?
The molecular formula of trans-Sabinyl acetate is C12H18O2.
What is the molecular weight of trans-Sabinyl acetate?
The molecular weight of trans-Sabinyl acetate is 194.13068 g/mol.
Where can I buy trans-Sabinyl acetate?
You can request a quote for trans-Sabinyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Sabinyl acetate?
Yes, CoreyChem provides custom synthesis services for trans-Sabinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.