(S)-Scoulerine
TL;DR: (S)-Scoulerine (CAS 605-34-5) 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)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Also Known As: Scoulerine, (S)-Scoulerine, Scoulerin, Discretamine, (-)-Scoulerine
| 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 | 605-34-5 |
|---|---|
| SMILES | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
| InChIKey | KNWVMRVOBAFFMH-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Scoulerine (CAS 605-34-5), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol.
Chemical Property Profile of (S)-Scoulerine
Property Insights of (S)-Scoulerine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Scoulerine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Scoulerine. Following Lipinski's Rule of Five, (S)-Scoulerine 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 (S)-Scoulerine?
The CAS number of (S)-Scoulerine is 605-34-5.
What is the molecular formula of (S)-Scoulerine?
The molecular formula of (S)-Scoulerine is C19H21NO4.
What is the molecular weight of (S)-Scoulerine?
The molecular weight of (S)-Scoulerine is 327.15 g/mol.
Where can I buy (S)-Scoulerine?
You can request a quote for (S)-Scoulerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Scoulerine?
Yes, KEHONG BIO provides custom synthesis services for (S)-Scoulerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.