Chrysanthenyl acetate
TL;DR: Chrysanthenyl acetate (CAS 98416-49-0) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl) acetate
Also Known As: Chrysanthenyl acetate, cis-Chrysanthenol acetate, cis-Chrysanthenyl acetate, trans-crysanthenyl acetate, .trans-Chrysanthenylacetat
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 98416-49-0 |
|---|---|
| SMILES | CC1=CCC2C(C1C2(C)C)OC(=O)C |
| InChIKey | UASZOTVHPVEMQR-UHFFFAOYSA-N |
Product Overview
Chrysanthenyl acetate (CAS 98416-49-0), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl) acetate.
Chemical Property Profile of Chrysanthenyl acetate
Property Insights of Chrysanthenyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysanthenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Chrysanthenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysanthenyl 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 Chrysanthenyl acetate?
The CAS number of Chrysanthenyl acetate is 98416-49-0.
What is the molecular formula of Chrysanthenyl acetate?
The molecular formula of Chrysanthenyl acetate is C12H18O2.
What is the molecular weight of Chrysanthenyl acetate?
The molecular weight of Chrysanthenyl acetate is 194.13 g/mol.
Where can I buy Chrysanthenyl acetate?
You can request a quote for Chrysanthenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysanthenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Chrysanthenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.