乙酸三环癸烯酯
TL;DR: 乙酸三环癸烯酯 (CAS 5413-60-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸三环癸烯酯
8-tricyclo[5.2.1.02,6]dec-3-enyl acetate
Also Known As: Verdyl acetate, Jasmacyclen, Tricyclodecenyl acetate, Greenyl acetate, Herbaflorat
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5413-60-5 |
|---|---|
| SMILES | CC(=O)OC1CC2CC1C3C2C=CC3 |
| InChIKey | RGVQNSFGUOIKFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸三环癸烯酯 (CAS 5413-60-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 8-tricyclo[5.2.1.02,6]dec-3-enyl acetate.
Chemical Property Profile of 乙酸三环癸烯酯
Property Insights of 乙酸三环癸烯酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸三环癸烯酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸三环癸烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸三环癸烯酯 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 乙酸三环癸烯酯?
The CAS number of 乙酸三环癸烯酯 is 5413-60-5.
What is the molecular formula of 乙酸三环癸烯酯?
The molecular formula of 乙酸三环癸烯酯 is C12H16O2.
What is the molecular weight of 乙酸三环癸烯酯?
The molecular weight of 乙酸三环癸烯酯 is 192.12 g/mol.
Where can I buy 乙酸三环癸烯酯?
You can request a quote for 乙酸三环癸烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸三环癸烯酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸三环癸烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.