N-Acetylstepharine
TL;DR: N-Acetylstepharine (CAS 4880-87-9) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-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: N-Acetylstepharine, BAS 00225293, (8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, AB00553783-04, AE-508/21136016
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 4880-87-9 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC |
| InChIKey | QHDTTYCECGBECX-UHFFFAOYSA-N |
Product Overview
N-Acetylstepharine (CAS 4880-87-9), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 5-acetyl-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 N-Acetylstepharine
Property Insights of N-Acetylstepharine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylstepharine. With a topological polar surface area (TPSA) of 55.8 Ų, N-Acetylstepharine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylstepharine has 0 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 N-Acetylstepharine?
The CAS number of N-Acetylstepharine is 4880-87-9.
What is the molecular formula of N-Acetylstepharine?
The molecular formula of N-Acetylstepharine is C20H21NO4.
What is the molecular weight of N-Acetylstepharine?
The molecular weight of N-Acetylstepharine is 339.15 g/mol.
Where can I buy N-Acetylstepharine?
You can request a quote for N-Acetylstepharine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylstepharine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylstepharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.