瓜菊酯 I
TL;DR: 瓜菊酯 I (CAS 97-12-1) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
瓜菊酯 I
cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: CINERIN I, Cinerin, Cinerine I, CINERIN 1, Cinerin I [BSI:ISO]
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 4.3921 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 600.37634 |
Chemical Identifiers
| CAS Number | 97-12-1 |
|---|---|
| SMILES | C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C |
Product Overview
瓜菊酯 I (CAS 97-12-1), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of 瓜菊酯 I
Property Insights of 瓜菊酯 I
The XLogP value of 4.3921 indicates that 瓜菊酯 I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 瓜菊酯 I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 瓜菊酯 I has 0 hydrogen bond donor(s) and 3 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 I?
The CAS number of 瓜菊酯 I is 97-12-1.
What is the molecular formula of 瓜菊酯 I?
The molecular formula of 瓜菊酯 I is C20H28O3.
What is the molecular weight of 瓜菊酯 I?
The molecular weight of 瓜菊酯 I is 316.20 g/mol.
Where can I buy 瓜菊酯 I?
You can request a quote for 瓜菊酯 I 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 I?
Yes, KEHONG BIO provides custom synthesis services for 瓜菊酯 I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.