1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate
TL;DR: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate (CAS 50836-11-8) is a chemical compound with molecular formula C18H25N3O9 and molecular weight 427.16 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-5-nitro-1,3-benzodioxol-2-yl)acetamide;oxalic acid
Also Known As: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate, N-(2-Diethylaminoethyl)-2-methyl-5-nitro-1,3-benzodioxole-2-acetamide oxalate, 2-Morpholinoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleate, N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide; oxalic acid, 1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2-methyl-5-nitro-
| Molecular Formula | C18H25N3O9 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.1591 |
| Heavy Atoms | 30 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 50836-11-8 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O |
| InChIKey | SPDJIYHFWWLZLB-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate (CAS 50836-11-8), with molecular formula C18H25N3O9 and molecular weight 427.16 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide;oxalic acid.
Chemical Property Profile of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate
Property Insights of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate. The TPSA of 171.0 Ų indicates high polarity, suggesting 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate 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-5-nitro-, oxalate has 3 hydrogen bond donor(s) and 10 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-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate?
The CAS number of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate is 50836-11-8.
What is the molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate?
The molecular formula of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate is C18H25N3O9.
What is the molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate?
The molecular weight of 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate is 427.16 g/mol.
Where can I buy 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate?
You can request a quote for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate 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-5-nitro-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-5-nitro-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.