Stephanaberrine
TL;DR: Stephanaberrine (CAS 115610-40-7) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11R,14S)-14-hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one
Also Known As: Stephanaberrine, KST-1A0733, (4s,6r)-4-hydroxy-14-methyl-1,2,5,6-tetrahydro-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-3(4h)-one, (4S,6R)-4-Hydroxy-14-methyl-1,2,5,6-tetrahydro-9H-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-3(4H)-one, 4-Hydroxy-14-methyl-1,2,5,6-tetrahydro-9H-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-3(4H)-one
Technical Specifications
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.1263 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.1263 Da |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
| SMILES | CN1CCC23C14C[C@H](C5=CC6=C(C=C52)OCO6)O[C@@]4(C(=O)CC3)O |
| InChIKey | CRHLDFQHFBGPOT-AGERRDQYSA-N |
Chemical Property Profile of Stephanaberrine
Property Insights of Stephanaberrine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stephanaberrine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Stephanaberrine. Following Lipinski's Rule of Five, Stephanaberrine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Stephanaberrine?
The CAS number of Stephanaberrine is 115610-40-7.
What is the molecular formula of Stephanaberrine?
The molecular formula of Stephanaberrine is C18H19NO5.
What is the molecular weight of Stephanaberrine?
The molecular weight of Stephanaberrine is 329.1263 g/mol.
Where can I buy Stephanaberrine?
You can request a quote for Stephanaberrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Stephanaberrine?
Yes, CoreyChem provides custom synthesis services for Stephanaberrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.