Sternbergine
TL;DR: Sternbergine (CAS 96253-76-8) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,14S,15S,16S)-5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-yl] acetate
Also Known As: Sternbergine, 1-O-Acetylisopseudolycorine, 2,9-Dihydroxy-10-methoxy-3,12-didehydrogalanthan-1-yl acetate, 3,12-Didehydro-10-methoxygalanthan-1alpha,2beta,9-triol 1-acetate, 2beta,9-Dihydroxy-10-methoxy-3,12-didehydrogalanthan-1alpha-yl acetate
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 96253-76-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H](C=C2CCN3[C@H]2[C@@H]1C4=CC(=C(C=C4C3)O)OC)O |
| InChIKey | JKXPUEOBLNILSU-DZJNRPSUSA-N |
Product Overview
Sternbergine (CAS 96253-76-8), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: [(1S,14S,15S,16S)-5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-yl] acetate.
Chemical Property Profile of Sternbergine
Property Insights of Sternbergine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sternbergine. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Sternbergine. Following Lipinski's Rule of Five, Sternbergine has 2 hydrogen bond donor(s) and 6 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 Sternbergine?
The CAS number of Sternbergine is 96253-76-8.
What is the molecular formula of Sternbergine?
The molecular formula of Sternbergine is C18H21NO5.
What is the molecular weight of Sternbergine?
The molecular weight of Sternbergine is 331.14 g/mol.
Where can I buy Sternbergine?
You can request a quote for Sternbergine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sternbergine?
Yes, KEHONG BIO provides custom synthesis services for Sternbergine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.