1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- (CAS 76948-81-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxylic acid
Also Known As: Fumariflorine, 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-, 6-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxylic acid, 6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxole-5-carboxylic acid, 6-(2-(Dimethylamino)ethyl)-1,3-benzodioxole-5-carboxylic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 76948-81-7 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1C(=O)O)OCO2 |
| InChIKey | BOZYJTCKDCTZDN-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- (CAS 76948-81-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 6-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
The XLogP value of -0.7 indicates that 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.0 Ų, 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- 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 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- is 76948-81-7.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- is C12H15NO4.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- is 237.10 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.