Hydrastine hydrochloride
TL;DR: Hydrastine hydrochloride (CAS 5936-28-7) is a chemical compound with molecular formula C21H22ClNO6 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride
Also Known As: Hydrastine hydrochloride, Hydrastine HCl, Hydrastinhydrochlorid, beta-Hydrastine hydrochloride, Hydrastine, hydrochloride
| Molecular Formula | C21H22ClNO6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.295 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.11356 |
| Heavy Atoms | 29 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 5936-28-7 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl |
| InChIKey | URBFHJWLYXILMP-VOMIJIAVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydrastine hydrochloride (CAS 5936-28-7), with molecular formula C21H22ClNO6 and molecular weight 419.11 g/mol. IUPAC: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride.
Chemical Property Profile of Hydrastine hydrochloride
Property Insights of Hydrastine hydrochloride
The XLogP value of 3.295 indicates that Hydrastine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrastine hydrochloride. Following Lipinski's Rule of Five, Hydrastine hydrochloride has 1 hydrogen bond donor(s) and 7 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 Hydrastine hydrochloride?
The CAS number of Hydrastine hydrochloride is 5936-28-7.
What is the molecular formula of Hydrastine hydrochloride?
The molecular formula of Hydrastine hydrochloride is C21H22ClNO6.
What is the molecular weight of Hydrastine hydrochloride?
The molecular weight of Hydrastine hydrochloride is 419.11 g/mol.
Where can I buy Hydrastine hydrochloride?
You can request a quote for Hydrastine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrastine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydrastine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.