乙酸异冰片酯
TL;DR: 乙酸异冰片酯 (CAS 125-12-2) 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.
乙酸异冰片酯
[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Isobomyl acetate, Pichtosine, Pichtosin, Isobornyl acetate, Isobornyl ethanoate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 125-12-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C2(C)C)C |
| InChIKey | KGEKLUUHTZCSIP-UMNHJUIQSA-N |
Product Overview
乙酸异冰片酯 (CAS 125-12-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate.
Chemical Property Profile of 乙酸异冰片酯
Property Insights of 乙酸异冰片酯
The XLogP value of 3.3 indicates that 乙酸异冰片酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸异冰片酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸异冰片酯 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 乙酸异冰片酯?
The CAS number of 乙酸异冰片酯 is 125-12-2.
What is the molecular formula of 乙酸异冰片酯?
The molecular formula of 乙酸异冰片酯 is C12H20O2.
What is the molecular weight of 乙酸异冰片酯?
The molecular weight of 乙酸异冰片酯 is 196.15 g/mol.
Where can I buy 乙酸异冰片酯?
You can request a quote for 乙酸异冰片酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸异冰片酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸异冰片酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.