1-Ethyl-6,7-dihydroxyisoquinolinium chloride
TL;DR: 1-Ethyl-6,7-dihydroxyisoquinolinium chloride (CAS 765263-06-7) is a chemical compound with molecular formula C12H14NO2+ and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-methylisoquinolin-2-ium-6,7-diol
Also Known As: 1-Ethyl-6,7-dihydroxyisoquinolinium chloride, 1-ethyl-2-methylisoquinolin-2-ium-6,7-diol, 1-ethyl-6,7-dihydroxy-2-methylisoquinolinium, 1-ethyl-2-methyl-isoquinolin-2-ium-6,7-diol, Isoquinolinium, 1-ethyl-6,7-dihydroxy-2-methyl-
| Molecular Formula | C12H14NO2+ |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.10245 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 765263-06-7 |
|---|---|
| SMILES | CCC1=[N+](C=CC2=CC(=C(C=C21)O)O)C |
| InChIKey | MYHWVALPVFQGAJ-UHFFFAOYSA-O |
Product Overview
1-Ethyl-6,7-dihydroxyisoquinolinium chloride (CAS 765263-06-7), with molecular formula C12H14NO2+ and molecular weight 204.10 g/mol. IUPAC: 1-ethyl-2-methylisoquinolin-2-ium-6,7-diol.
Chemical Property Profile of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride
Property Insights of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-6,7-dihydroxyisoquinolinium chloride. With a topological polar surface area (TPSA) of 44.3 Ų, 1-Ethyl-6,7-dihydroxyisoquinolinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-6,7-dihydroxyisoquinolinium chloride has 2 hydrogen bond donor(s) and 2 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 1-Ethyl-6,7-dihydroxyisoquinolinium chloride?
The CAS number of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride is 765263-06-7.
What is the molecular formula of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride?
The molecular formula of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride is C12H14NO2+.
What is the molecular weight of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride?
The molecular weight of 1-Ethyl-6,7-dihydroxyisoquinolinium chloride is 204.10 g/mol.
Where can I buy 1-Ethyl-6,7-dihydroxyisoquinolinium chloride?
You can request a quote for 1-Ethyl-6,7-dihydroxyisoquinolinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6,7-dihydroxyisoquinolinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6,7-dihydroxyisoquinolinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.