Isoscoulerine
TL;DR: Isoscoulerine (CAS 62249-73-4) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-3,9-diol
Also Known As: Isoscoulerine, 2-Nitro-1-m-tolyl-aethylen, KST-1A7370, C20-H40, Hexadecene, 2,6,10,14-tetramethyl-
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 62249-73-4 |
|---|---|
| SMILES | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)O |
| InChIKey | XFXUXIQZJARYEF-HNNXBMFYSA-N |
Product Overview
Isoscoulerine (CAS 62249-73-4), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-3,9-diol.
Chemical Property Profile of Isoscoulerine
Property Insights of Isoscoulerine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoscoulerine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoscoulerine. Following Lipinski's Rule of Five, Isoscoulerine has 2 hydrogen bond donor(s) and 5 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 Isoscoulerine?
The CAS number of Isoscoulerine is 62249-73-4.
What is the molecular formula of Isoscoulerine?
The molecular formula of Isoscoulerine is C19H21NO4.
What is the molecular weight of Isoscoulerine?
The molecular weight of Isoscoulerine is 327.15 g/mol.
Where can I buy Isoscoulerine?
You can request a quote for Isoscoulerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoscoulerine?
Yes, KEHONG BIO provides custom synthesis services for Isoscoulerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.