1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate
TL;DR: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate (CAS 50836-22-1) is a chemical compound with molecular formula C22H32N2O10 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-2-(2-methyl-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-methyl-, citrate, N-(2-(Diethylamino)ethyl)-2-methyl-1,3-benzodioxol-2-acetamide, N-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-acetamide citrate, 1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2-methyl-, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl]-2-(2-methyl-2H-1,3-benzodioxol-2-yl)acetamide (1/1)
| Molecular Formula | C22H32N2O10 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 484.2057 |
| Heavy Atoms | 34 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 50836-22-1 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | GUNJATHEGMDIBT-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate (CAS 50836-22-1), with molecular formula C22H32N2O10 and molecular weight 484.21 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-2-(2-methyl-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-methyl-, citrate
Property Insights of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, 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-methyl-, 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-methyl-, citrate?
The CAS number of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate is 50836-22-1.
What is the molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate?
The molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate is C22H32N2O10.
What is the molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate?
The molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate is 484.21 g/mol.
Where can I buy 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate?
You can request a quote for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, 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-methyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.