8-Deoxylactucin
TL;DR: 8-Deoxylactucin (CAS 65725-10-2) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
Also Known As: 8-Deoxylactucin, 8-Desoxylactucin, 8-Deoxy-lactucin, DEOXYLACTUCIN, (3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 65725-10-2 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C(=CC2=O)CO |
| InChIKey | NIYXMGSLECQTQT-BPNCWPANSA-N |
Product Overview
8-Deoxylactucin (CAS 65725-10-2), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione.
Chemical Property Profile of 8-Deoxylactucin
Property Insights of 8-Deoxylactucin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Deoxylactucin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Deoxylactucin. Following Lipinski's Rule of Five, 8-Deoxylactucin has 1 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 8-Deoxylactucin?
The CAS number of 8-Deoxylactucin is 65725-10-2.
What is the molecular formula of 8-Deoxylactucin?
The molecular formula of 8-Deoxylactucin is C15H16O4.
What is the molecular weight of 8-Deoxylactucin?
The molecular weight of 8-Deoxylactucin is 260.10 g/mol.
Where can I buy 8-Deoxylactucin?
You can request a quote for 8-Deoxylactucin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Deoxylactucin?
Yes, KEHONG BIO provides custom synthesis services for 8-Deoxylactucin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.