Stepharine
TL;DR: Stepharine (CAS 681465-03-2) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Stepharine, (+)-Stepharine, (R)-stepharine, HY-N9347, AI3-34587
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 681465-03-2 |
|---|---|
| SMILES | COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC |
| InChIKey | OGJKMZVUJJYWKO-CYBMUJFWSA-N |
Product Overview
Stepharine (CAS 681465-03-2), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: (4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Stepharine
Property Insights of Stepharine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stepharine. With a topological polar surface area (TPSA) of 47.6 Ų, Stepharine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stepharine has 1 hydrogen bond donor(s) and 4 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 Stepharine?
The CAS number of Stepharine is 681465-03-2.
What is the molecular formula of Stepharine?
The molecular formula of Stepharine is C18H19NO3.
What is the molecular weight of Stepharine?
The molecular weight of Stepharine is 297.14 g/mol.
Where can I buy Stepharine?
You can request a quote for Stepharine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stepharine?
Yes, KEHONG BIO provides custom synthesis services for Stepharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.