Citlalitrione
TL;DR: Citlalitrione (CAS 116368-91-3) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione
Also Known As: Citlalitrione, (1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-Pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione, Cyclopenta(4',5')cyclonona(1',2':1,5)cyclopent(1,2-b)oxirene-4,8,9(5H)-trione, 5a,6,7,8a,9a,10,11,11a-octahydro-3,6,6,8a,11-pentamethyl-, (5aR-(1aR*,5aR*,8aS*,9aS*,11R*,11aS*))-
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 2.8897 |
| Topological Polar Surface Area | 63.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 702.4274 |
Chemical Identifiers
| CAS Number | 116368-91-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2C(=O)[C@]3([C@H](CC(=O)/C(=C/[C@]24[C@H]1O4)/C)C(CC3=O)(C)C)C |
Product Overview
Citlalitrione (CAS 116368-91-3), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: (1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione.
Chemical Property Profile of Citlalitrione
Property Insights of Citlalitrione
The XLogP value of 2.8897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citlalitrione. The TPSA of 63.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Citlalitrione. Following Lipinski's Rule of Five, Citlalitrione has 0 hydrogen bond donor(s) and 4 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 Citlalitrione?
The CAS number of Citlalitrione is 116368-91-3.
What is the molecular formula of Citlalitrione?
The molecular formula of Citlalitrione is C20H26O4.
What is the molecular weight of Citlalitrione?
The molecular weight of Citlalitrione is 330.18 g/mol.
Where can I buy Citlalitrione?
You can request a quote for Citlalitrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citlalitrione?
Yes, KEHONG BIO provides custom synthesis services for Citlalitrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.