瓜菊酯II
TL;DR: 瓜菊酯II (CAS 121-20-0) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
瓜菊酯II
(3-but-2-enyl-2-methyl-4-oxocyclopent-2-en-1-yl) 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: CINERIN II, Cinerine II, Cinerin II [BSI:ISO], Cinerine II [ISO-French], EINECS 204-454-2
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 121-20-0 |
|---|---|
| SMILES | CC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C |
| InChIKey | SHCRDCOTRILILT-UHFFFAOYSA-N |
Product Overview
瓜菊酯II (CAS 121-20-0), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (3-but-2-enyl-2-methyl-4-oxocyclopent-2-en-1-yl) 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of 瓜菊酯II
Property Insights of 瓜菊酯II
The XLogP value of 4.0 indicates that 瓜菊酯II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 瓜菊酯II. Following Lipinski's Rule of Five, 瓜菊酯II has 0 hydrogen bond donor(s) and 5 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 瓜菊酯II?
The CAS number of 瓜菊酯II is 121-20-0.
What is the molecular formula of 瓜菊酯II?
The molecular formula of 瓜菊酯II is C21H28O5.
What is the molecular weight of 瓜菊酯II?
The molecular weight of 瓜菊酯II is 360.19 g/mol.
Where can I buy 瓜菊酯II?
You can request a quote for 瓜菊酯II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 瓜菊酯II?
Yes, KEHONG BIO provides custom synthesis services for 瓜菊酯II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.