Methylhydrasteine methyl ester
TL;DR: Methylhydrasteine methyl ester (CAS 80243-94-3) is a chemical compound with molecular formula C23H27NO7 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
Also Known As: Methylhydrasteine methyl ester, methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl, methyl 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate, Methyl 6-[2-[6-(2-dimethylaminoethyl)benzo[1,3]dioxol-5-yl]acetyl]-2,3-dimethoxy-benzoate, Methyl 6-({6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate
| Molecular Formula | C23H27NO7 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 429.17874 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 80243-94-3 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)OC)OCO2 |
| InChIKey | BVNJWCFAMUHSNK-UHFFFAOYSA-N |
Product Overview
Methylhydrasteine methyl ester (CAS 80243-94-3), with molecular formula C23H27NO7 and molecular weight 429.18 g/mol. IUPAC: methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate.
Chemical Property Profile of Methylhydrasteine methyl ester
Property Insights of Methylhydrasteine methyl ester
The XLogP value of 3.1 indicates that Methylhydrasteine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylhydrasteine methyl ester. Following Lipinski's Rule of Five, Methylhydrasteine methyl ester has 0 hydrogen bond donor(s) and 8 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 Methylhydrasteine methyl ester?
The CAS number of Methylhydrasteine methyl ester is 80243-94-3.
What is the molecular formula of Methylhydrasteine methyl ester?
The molecular formula of Methylhydrasteine methyl ester is C23H27NO7.
What is the molecular weight of Methylhydrasteine methyl ester?
The molecular weight of Methylhydrasteine methyl ester is 429.18 g/mol.
Where can I buy Methylhydrasteine methyl ester?
You can request a quote for Methylhydrasteine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylhydrasteine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methylhydrasteine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.