1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate
TL;DR: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate (CAS 50836-29-8) is a chemical compound with molecular formula C23H34N2O10 and molecular weight 498.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-benzodioxol-2-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate, N-(2-Diethylaminoethyl)-2,5-dimethyl-1,3-benzodioxole-2-acetamide citrate, 1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2,5-dimethyl-, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl](2,5-dimethyl-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1)
| Molecular Formula | C23H34N2O10 |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 498.22134 |
| Heavy Atoms | 35 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 50836-29-8 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | UWLQIDKGVUKVHU-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate (CAS 50836-29-8), with molecular formula C23H34N2O10 and molecular weight 498.22 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-benzodioxol-2-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate
Property Insights of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate?
The CAS number of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate is 50836-29-8.
What is the molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate?
The molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate is C23H34N2O10.
What is the molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate?
The molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate is 498.22 g/mol.
Where can I buy 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate?
You can request a quote for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate 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-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.