Lumisantonin
TL;DR: Lumisantonin (CAS 467-41-4) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9,10-trimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione
Also Known As: Lumisantonin, 5,9,10-trimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione, 3,5a,5b-trimethyl-3a,5a,5b,8b-tetrahydro-4h-cyclopenta[2',3']cyclopropa[1',2':5,6]benzo[1,2-b]furan-2,6(3h,5h)-dione, 5,9,10-trimethyl-3-oxatetracyclo(7.4.0.01,10.02,6)tridec-12-ene-4,11-dione, 3H-Cyclopenta(2,3)cyclopropa(1,2-g)benzofuran-3,7(6H)-dione, 3a,3b,4,5,5a,8a-hexahydro-3a,3b,6-trimethyl-, (3aR-(3aalpha,3bbeta,5abeta,6beta,8aalpha,8bR*))-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 467-41-4 |
|---|---|
| SMILES | CC1C2CCC3(C4(C3(C2OC1=O)C=CC4=O)C)C |
| InChIKey | DAGAGXCQQYCLAE-UHFFFAOYSA-N |
Product Overview
Lumisantonin (CAS 467-41-4), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 5,9,10-trimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione.
Chemical Property Profile of Lumisantonin
Property Insights of Lumisantonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lumisantonin. With a topological polar surface area (TPSA) of 43.4 Ų, Lumisantonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lumisantonin 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 Lumisantonin?
The CAS number of Lumisantonin is 467-41-4.
What is the molecular formula of Lumisantonin?
The molecular formula of Lumisantonin is C15H18O3.
What is the molecular weight of Lumisantonin?
The molecular weight of Lumisantonin is 246.13 g/mol.
Where can I buy Lumisantonin?
You can request a quote for Lumisantonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lumisantonin?
Yes, KEHONG BIO provides custom synthesis services for Lumisantonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.