RefChem:1052921
TL;DR: RefChem:1052921 (CAS 6271-07-4) is a chemical compound with molecular formula C19H20ClNO5 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-, hydrochloride, 7,8-Dihydro-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo(g)isoquinoline hydrochloride, 5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, RefChem:1052921
| Molecular Formula | C19H20ClNO5 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.103 |
| Heavy Atoms | 26 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 6271-07-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=[NH+]CCC3=CC4=C(C=C32)OCO4.[Cl-] |
| InChIKey | SYTHQDNJJPJHPF-UHFFFAOYSA-N |
Product Overview
RefChem:1052921 (CAS 6271-07-4), with molecular formula C19H20ClNO5 and molecular weight 377.10 g/mol. IUPAC: 5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:1052921
Property Insights of RefChem:1052921
The XLogP value of -2.08 indicates that RefChem:1052921 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052921. Following Lipinski's Rule of Five, RefChem:1052921 has 1 hydrogen bond donor(s) and 6 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:1052921?
The CAS number of RefChem:1052921 is 6271-07-4.
What is the molecular formula of RefChem:1052921?
The molecular formula of RefChem:1052921 is C19H20ClNO5.
What is the molecular weight of RefChem:1052921?
The molecular weight of RefChem:1052921 is 377.10 g/mol.
Where can I buy RefChem:1052921?
You can request a quote for RefChem:1052921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052921?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.