N,N-diethyl-2,5-dinitropyrrole-1-acetamide
TL;DR: N,N-diethyl-2,5-dinitropyrrole-1-acetamide (CAS 78232-31-2) is a chemical compound with molecular formula C10H14N4O5 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dinitropyrrol-1-yl)-N,N-diethylacetamide
Also Known As: N,N-Diethyl-2,5-dinitropyrrole-1-acetamide, Sid 769534, 2-(2,5-dinitropyrrol-1-yl)-N,N-diethylacetamide, 1H-Pyrrole-1-acetamide, N,N-diethyl-2,5-dinitro-, 2-(2,5-Dinitro-1H-pyrrol-1-yl)-N,N-diethylacetamide
| Molecular Formula | C10H14N4O5 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0964 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 78232-31-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C(=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QLQGYCCQWPPINJ-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-2,5-dinitropyrrole-1-acetamide (CAS 78232-31-2), with molecular formula C10H14N4O5 and molecular weight 270.10 g/mol. IUPAC: 2-(2,5-dinitropyrrol-1-yl)-N,N-diethylacetamide.
Chemical Property Profile of N,N-diethyl-2,5-dinitropyrrole-1-acetamide
Property Insights of N,N-diethyl-2,5-dinitropyrrole-1-acetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2,5-dinitropyrrole-1-acetamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-2,5-dinitropyrrole-1-acetamide. Following Lipinski's Rule of Five, N,N-diethyl-2,5-dinitropyrrole-1-acetamide has 0 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 N,N-diethyl-2,5-dinitropyrrole-1-acetamide?
The CAS number of N,N-diethyl-2,5-dinitropyrrole-1-acetamide is 78232-31-2.
What is the molecular formula of N,N-diethyl-2,5-dinitropyrrole-1-acetamide?
The molecular formula of N,N-diethyl-2,5-dinitropyrrole-1-acetamide is C10H14N4O5.
What is the molecular weight of N,N-diethyl-2,5-dinitropyrrole-1-acetamide?
The molecular weight of N,N-diethyl-2,5-dinitropyrrole-1-acetamide is 270.10 g/mol.
Where can I buy N,N-diethyl-2,5-dinitropyrrole-1-acetamide?
You can request a quote for N,N-diethyl-2,5-dinitropyrrole-1-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2,5-dinitropyrrole-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2,5-dinitropyrrole-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.