茉酮菊素II
TL;DR: 茉酮菊素II (CAS 1172-63-0) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茉酮菊素II
(2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Jasmolin II
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 1172-63-0 |
|---|---|
| SMILES | CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C |
| InChIKey | WKNSDDMJXANVMK-UHFFFAOYSA-N |
Product Overview
茉酮菊素II (CAS 1172-63-0), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: (2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of 茉酮菊素II
Property Insights of 茉酮菊素II
The XLogP value of 4.5 indicates that 茉酮菊素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 茉酮菊素II. Following Lipinski's Rule of Five, 茉酮菊素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 茉酮菊素II?
The CAS number of 茉酮菊素II is 1172-63-0.
What is the molecular formula of 茉酮菊素II?
The molecular formula of 茉酮菊素II is C22H30O5.
What is the molecular weight of 茉酮菊素II?
The molecular weight of 茉酮菊素II is 374.21 g/mol.
Where can I buy 茉酮菊素II?
You can request a quote for 茉酮菊素II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茉酮菊素II?
Yes, KEHONG BIO provides custom synthesis services for 茉酮菊素II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.