N-Methylhydrastine
TL;DR: N-Methylhydrastine (CAS 55922-35-5) is a chemical compound with molecular formula C22H23NO6 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one
Also Known As: N-Methylhydrastine, (3E)-3-((6-(2-Dimethylaminoethyl)-1,3-benzodioxol-5-yl)methylidene)-6,7-dimethoxy-2-benzofuran-1-one, (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.2051 |
| Topological Polar Surface Area | 66.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 995.2824 |
Chemical Identifiers
| CAS Number | 55922-35-5 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2 |
Product Overview
N-Methylhydrastine (CAS 55922-35-5), with molecular formula C22H23NO6 and molecular weight 397.15 g/mol. IUPAC: (3E)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one.
Chemical Property Profile of N-Methylhydrastine
Property Insights of N-Methylhydrastine
The XLogP value of 3.2051 indicates that N-Methylhydrastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylhydrastine. Following Lipinski's Rule of Five, N-Methylhydrastine has 0 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 N-Methylhydrastine?
The CAS number of N-Methylhydrastine is 55922-35-5.
What is the molecular formula of N-Methylhydrastine?
The molecular formula of N-Methylhydrastine is C22H23NO6.
What is the molecular weight of N-Methylhydrastine?
The molecular weight of N-Methylhydrastine is 397.15 g/mol.
Where can I buy N-Methylhydrastine?
You can request a quote for N-Methylhydrastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylhydrastine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylhydrastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.