RefChem:219018
TL;DR: RefChem:219018 (CAS 20233-00-5) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-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-5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride, 5,6,7,8-Tetrahydro-5-(1,1-dimethylpentyl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline HCl, 7-methyl-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-5-(1,1-DIMETHYLPENTYL)-7-METH, RefChem:219018
| Molecular Formula | C18H28ClNO2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.18085 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 20233-00-5 |
|---|---|
| SMILES | CCCCC(C)(C)C1C2=CC3=C(C=C2CC([NH2+]1)C)OCO3.[Cl-] |
| InChIKey | YNUIEUHWXJDOPK-UHFFFAOYSA-N |
Product Overview
RefChem:219018 (CAS 20233-00-5), with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol. IUPAC: 7-methyl-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:219018
Property Insights of RefChem:219018
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219018. With a topological polar surface area (TPSA) of 35.1 Ų, RefChem:219018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219018 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:219018?
The CAS number of RefChem:219018 is 20233-00-5.
What is the molecular formula of RefChem:219018?
The molecular formula of RefChem:219018 is C18H28ClNO2.
What is the molecular weight of RefChem:219018?
The molecular weight of RefChem:219018 is 325.18 g/mol.
Where can I buy RefChem:219018?
You can request a quote for RefChem:219018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.