RefChem:219033
TL;DR: RefChem:219033 (CAS 20225-99-4) is a chemical compound with molecular formula C18H16ClNO4 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 7,8-Dihydro-7-methyl-5-(3,4-(methylenedioxy)phenyl)-1,3-dioxolo(4,5-g)isoquinoline HCl, 1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-7-methyl-5-(3,4-(methylenedioxy)phenyl)-, hydrochloride, 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7,8-DIHYDRO-7-METHYL-5-(3,4-(METHYLENEDIOXY)PHEN, RefChem:219033
| Molecular Formula | C18H16ClNO4 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | -1.99 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.07678 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 20225-99-4 |
|---|---|
| SMILES | CC1CC2=CC3=C(C=C2C(=[NH+]1)C4=CC5=C(C=C4)OCO5)OCO3.[Cl-] |
| InChIKey | NFXXQECVKKXORP-UHFFFAOYSA-N |
Product Overview
RefChem:219033 (CAS 20225-99-4), with molecular formula C18H16ClNO4 and molecular weight 345.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:219033
Property Insights of RefChem:219033
The XLogP value of -1.99 indicates that RefChem:219033 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.9 Ų, RefChem:219033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219033 has 1 hydrogen bond donor(s) and 5 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:219033?
The CAS number of RefChem:219033 is 20225-99-4.
What is the molecular formula of RefChem:219033?
The molecular formula of RefChem:219033 is C18H16ClNO4.
What is the molecular weight of RefChem:219033?
The molecular weight of RefChem:219033 is 345.08 g/mol.
Where can I buy RefChem:219033?
You can request a quote for RefChem:219033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.