Magellanine
TL;DR: Magellanine (CAS 61273-75-4) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
Also Known As: Magellanine, (-)-Magellanine, (6S)-3,6-dimethyl-6,7-dihydro-5H-benzofuran-4-one, (1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one, 1H-Benzo(3a,4)pentaleno(2,1-c)pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, (4aS-(4aalpha,6alpha,6abeta,6balpha,10aalpha,11aR*))-
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 61273-75-4 |
|---|---|
| SMILES | CC1=CC(=O)[C@]23C[C@@H]4CN(CC[C@@H]4[C@H]2[C@H](C[C@@H]3C1)O)C |
| InChIKey | ADRPSBGLUHNVOU-INSRFAMQSA-N |
Product Overview
Magellanine (CAS 61273-75-4), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: (1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one.
Chemical Property Profile of Magellanine
Property Insights of Magellanine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Magellanine. With a topological polar surface area (TPSA) of 40.5 Ų, Magellanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Magellanine has 1 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 Magellanine?
The CAS number of Magellanine is 61273-75-4.
What is the molecular formula of Magellanine?
The molecular formula of Magellanine is C17H25NO2.
What is the molecular weight of Magellanine?
The molecular weight of Magellanine is 275.19 g/mol.
Where can I buy Magellanine?
You can request a quote for Magellanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magellanine?
Yes, KEHONG BIO provides custom synthesis services for Magellanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.