2,3-Didehydrospartein-4-one
TL;DR: 2,3-Didehydrospartein-4-one (CAS 529-80-6) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
Also Known As: Multiflorine, 2,3-didehydrospartein-4-one, 7alpha-2,3-Didehydrospartein-4-one, (1R,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one, (1R,2R,9S,10S)-7,15-diazatetracyclo(7.7.1.02,7.010,15)heptadec-5-en-4-one
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 529-80-6 |
|---|---|
| SMILES | C1CCN2C[C@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4 |
| InChIKey | HQSKZPOVBDNEGN-MYZSUADSSA-N |
Product Overview
2,3-Didehydrospartein-4-one (CAS 529-80-6), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one.
Chemical Property Profile of 2,3-Didehydrospartein-4-one
Property Insights of 2,3-Didehydrospartein-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Didehydrospartein-4-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2,3-Didehydrospartein-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Didehydrospartein-4-one 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 2,3-Didehydrospartein-4-one?
The CAS number of 2,3-Didehydrospartein-4-one is 529-80-6.
What is the molecular formula of 2,3-Didehydrospartein-4-one?
The molecular formula of 2,3-Didehydrospartein-4-one is C15H22N2O.
What is the molecular weight of 2,3-Didehydrospartein-4-one?
The molecular weight of 2,3-Didehydrospartein-4-one is 246.17 g/mol.
Where can I buy 2,3-Didehydrospartein-4-one?
You can request a quote for 2,3-Didehydrospartein-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Didehydrospartein-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Didehydrospartein-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.