1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide
TL;DR: 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide (CAS 1933-80-8) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide
Also Known As: 5-Nitro-isophthalsaeure-mono-ethylamid, N,N'-diethyl-5-nitro-benzene-1,3-dicarboxamide, 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.0942 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 477.446 |
Chemical Identifiers
| CAS Number | 1933-80-8 |
|---|---|
| SMILES | CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC |
Product Overview
1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide (CAS 1933-80-8), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide.
Chemical Property Profile of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide
Property Insights of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide
The XLogP value of 1.0942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide. Following Lipinski's Rule of Five, 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide has 2 hydrogen bond donor(s) and 4 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-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide?
The CAS number of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide is 1933-80-8.
What is the molecular formula of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide?
The molecular formula of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide is C12H15N3O4.
What is the molecular weight of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide?
The molecular weight of 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide is 265.11 g/mol.
Where can I buy 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide?
You can request a quote for 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-N,3-N-diethyl-5-nitrobenzene-1,3-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.