Methylhydrastimide hydrochloride (1:1)
TL;DR: Methylhydrastimide hydrochloride (1:1) (CAS 548-71-0) is a chemical compound with molecular formula C22H25ClN2O5 and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one;hydrochloride
Also Known As: Methylhydrastimide hydrochloride (1:1)
| Molecular Formula | C22H25ClN2O5 |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1452 |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 548-71-0 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.Cl |
| InChIKey | UGUBGMSQMCPJQE-UHFFFAOYSA-N |
Product Overview
Methylhydrastimide hydrochloride (1:1) (CAS 548-71-0), with molecular formula C22H25ClN2O5 and molecular weight 432.15 g/mol. IUPAC: 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one;hydrochloride.
Chemical Property Profile of Methylhydrastimide hydrochloride (1:1)
Property Insights of Methylhydrastimide hydrochloride (1:1)
The XLogP value of 3.2 indicates that Methylhydrastimide hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylhydrastimide hydrochloride (1:1). Following Lipinski's Rule of Five, Methylhydrastimide hydrochloride (1:1) has 2 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 Methylhydrastimide hydrochloride (1:1)?
The CAS number of Methylhydrastimide hydrochloride (1:1) is 548-71-0.
What is the molecular formula of Methylhydrastimide hydrochloride (1:1)?
The molecular formula of Methylhydrastimide hydrochloride (1:1) is C22H25ClN2O5.
What is the molecular weight of Methylhydrastimide hydrochloride (1:1)?
The molecular weight of Methylhydrastimide hydrochloride (1:1) is 432.15 g/mol.
Where can I buy Methylhydrastimide hydrochloride (1:1)?
You can request a quote for Methylhydrastimide hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylhydrastimide hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Methylhydrastimide hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.