Stephanaberrine
TL;DR: Stephanaberrine (CAS 115610-40-7) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 115610-40-7 |
|---|---|
| SMILES | CN1CCC23C14C[C@H](C5=CC6=C(C=C52)OCO6)O[C@@]4(C(=O)CC3)O |
| InChIKey | CRHLDFQHFBGPOT-AGERRDQYSA-N |
Product Overview
Stephanaberrine (CAS 115610-40-7), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: (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.
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
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 329.13 g/mol.
Where can I buy Stephanaberrine?
You can request a quote for Stephanaberrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stephanaberrine?
Yes, KEHONG BIO provides custom synthesis services for Stephanaberrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.