Oxyhydrastinine
TL;DR: Oxyhydrastinine (CAS 6337-72-0) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Also Known As: Oxyhydrastinine, Oxohydrastinine, Oxyhydrastinin, 6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one, 6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6337-72-0 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1=O)OCO3 |
| InChIKey | WIUVXEAALLSOQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxyhydrastinine (CAS 6337-72-0), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one.
Chemical Property Profile of Oxyhydrastinine
Property Insights of Oxyhydrastinine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyhydrastinine. With a topological polar surface area (TPSA) of 38.8 Ų, Oxyhydrastinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxyhydrastinine has 0 hydrogen bond donor(s) and 3 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 Oxyhydrastinine?
The CAS number of Oxyhydrastinine is 6337-72-0.
What is the molecular formula of Oxyhydrastinine?
The molecular formula of Oxyhydrastinine is C11H11NO3.
What is the molecular weight of Oxyhydrastinine?
The molecular weight of Oxyhydrastinine is 205.07 g/mol.
Where can I buy Oxyhydrastinine?
You can request a quote for Oxyhydrastinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyhydrastinine?
Yes, KEHONG BIO provides custom synthesis services for Oxyhydrastinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.