O-Demethyl-hydrocatarnine
TL;DR: O-Demethyl-hydrocatarnine (CAS 5890-61-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol
Also Known As: O-Demethyl-hydrocatarnine, 6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-4-ol, 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol, 6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-4-ol #
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 5890-61-9 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1)O)OCO3 |
| InChIKey | FMOFBNZLIUAYPT-UHFFFAOYSA-N |
Product Overview
O-Demethyl-hydrocatarnine (CAS 5890-61-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol.
Chemical Property Profile of O-Demethyl-hydrocatarnine
Property Insights of O-Demethyl-hydrocatarnine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Demethyl-hydrocatarnine. With a topological polar surface area (TPSA) of 41.9 Ų, O-Demethyl-hydrocatarnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Demethyl-hydrocatarnine 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 O-Demethyl-hydrocatarnine?
The CAS number of O-Demethyl-hydrocatarnine is 5890-61-9.
What is the molecular formula of O-Demethyl-hydrocatarnine?
The molecular formula of O-Demethyl-hydrocatarnine is C11H13NO3.
What is the molecular weight of O-Demethyl-hydrocatarnine?
The molecular weight of O-Demethyl-hydrocatarnine is 207.09 g/mol.
Where can I buy O-Demethyl-hydrocatarnine?
You can request a quote for O-Demethyl-hydrocatarnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Demethyl-hydrocatarnine?
Yes, KEHONG BIO provides custom synthesis services for O-Demethyl-hydrocatarnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.