C20H22BrNO4.ClH
TL;DR: C20H22BrNO4.ClH (CAS 59444-56-3) is a chemical compound with molecular formula C20H23BrClNO4 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride
Also Known As: Cid 43028, 6'-Bromo-dihydropapaverine hydrochloride, 3,4-Dihydro-1-((2-bromo-4,5-dimethoxy)benzyl)-6,7-dimethoxyisoquinoline hydrochloride, Isoquinoline, 3,4-dihydro-1-((2-bromo-4,5-dimethoxy)benzyl)-6,7-dimethoxy-, hydrochloride, Isoquinoline, 3,4-dihydro-1-((2-bromo-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxy-, HCl
| Molecular Formula | C20H23BrClNO4 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0499 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 59444-56-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-] |
| InChIKey | QAOUFVOJFVVNEX-UHFFFAOYSA-N |
Product Overview
C20H22BrNO4.ClH (CAS 59444-56-3), with molecular formula C20H23BrClNO4 and molecular weight 455.05 g/mol. IUPAC: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride.
Chemical Property Profile of C20H22BrNO4.ClH
Property Insights of C20H22BrNO4.ClH
The XLogP value of -0.84 indicates that C20H22BrNO4.ClH 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, C20H22BrNO4.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22BrNO4.ClH 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 C20H22BrNO4.ClH?
The CAS number of C20H22BrNO4.ClH is 59444-56-3.
What is the molecular formula of C20H22BrNO4.ClH?
The molecular formula of C20H22BrNO4.ClH is C20H23BrClNO4.
What is the molecular weight of C20H22BrNO4.ClH?
The molecular weight of C20H22BrNO4.ClH is 455.05 g/mol.
Where can I buy C20H22BrNO4.ClH?
You can request a quote for C20H22BrNO4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22BrNO4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C20H22BrNO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.