RefChem:219022
TL;DR: RefChem:219022 (CAS 19409-90-6) is a chemical compound with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-, hydrochloride, 5,6,7,8-Tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-1,3-dioxolo(4,5-g)isoquinoline HCl, 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-6,7-DIMETHYL-5-(1,1-DIMETHYLP, RefChem:219022
| Molecular Formula | C19H30ClNO2 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | 0.14 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1965 |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 19409-90-6 |
|---|---|
| SMILES | CCCCC(C)(C)C1C2=CC3=C(C=C2CC([NH+]1C)C)OCO3.[Cl-] |
| InChIKey | IIPQYFLHVXWNQN-UHFFFAOYSA-N |
Product Overview
RefChem:219022 (CAS 19409-90-6), with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol. IUPAC: 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:219022
Property Insights of RefChem:219022
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219022. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:219022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219022 has 1 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 RefChem:219022?
The CAS number of RefChem:219022 is 19409-90-6.
What is the molecular formula of RefChem:219022?
The molecular formula of RefChem:219022 is C19H30ClNO2.
What is the molecular weight of RefChem:219022?
The molecular weight of RefChem:219022 is 339.20 g/mol.
Where can I buy RefChem:219022?
You can request a quote for RefChem:219022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219022?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.