alpha-Fenchyl acetate
TL;DR: alpha-Fenchyl acetate (CAS 4057-31-2) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Fenchyl acetate, alpha-Fenchyl acetate, .alpha.-Fenchyl acetate, Fenchyl acetic acid, .alpha.-Fenchyl acetate, endo
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.7643 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 264.74042 |
Chemical Identifiers
| CAS Number | 4057-31-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C(C2CCC1(C2)C)(C)C |
Product Overview
alpha-Fenchyl acetate (CAS 4057-31-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate.
Chemical Property Profile of alpha-Fenchyl acetate
Property Insights of alpha-Fenchyl acetate
The XLogP value of 2.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Fenchyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Fenchyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Fenchyl 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
Frequently Asked Questions
What is the CAS number of alpha-Fenchyl acetate?
The CAS number of alpha-Fenchyl acetate is 4057-31-2.
What is the molecular formula of alpha-Fenchyl acetate?
The molecular formula of alpha-Fenchyl acetate is C12H20O2.
What is the molecular weight of alpha-Fenchyl acetate?
The molecular weight of alpha-Fenchyl acetate is 196.15 g/mol.
Where can I buy alpha-Fenchyl acetate?
You can request a quote for alpha-Fenchyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Fenchyl acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Fenchyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.