N-丁基-2,4-二硝基吡咯-1-乙酰胺
TL;DR: N-丁基-2,4-二硝基吡咯-1-乙酰胺 (CAS 42578-91-6) 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.
N-丁基-2,4-二硝基吡咯-1-乙酰胺
N-butyl-2-(2,4-dinitropyrrol-1-yl)acetamide
Also Known As: N-Butyl-2,4-dinitropyrrole-1-acetamide, Pyrrole-1-acetamide, N-butyl-2,4-dinitro-, 1-(N-butylcarbamylmethyl)-2,4-dinitropyrrole, n-butyl-2-(2,4-dinitro-1h-pyrrol-1-yl)acetamide, N-butyl-2-(2,4-dinitropyrrol-1-yl)acetamide
| Molecular Formula | C10H14N4O5 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0964 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 42578-91-6 |
|---|---|
| SMILES | CCCCNC(=O)CN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NRNZMGPBNYVVAO-UHFFFAOYSA-N |
Product Overview
N-丁基-2,4-二硝基吡咯-1-乙酰胺 (CAS 42578-91-6), with molecular formula C10H14N4O5 and molecular weight 270.10 g/mol. IUPAC: N-butyl-2-(2,4-dinitropyrrol-1-yl)acetamide.
Chemical Property Profile of N-丁基-2,4-二硝基吡咯-1-乙酰胺
Property Insights of N-丁基-2,4-二硝基吡咯-1-乙酰胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-丁基-2,4-二硝基吡咯-1-乙酰胺. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-丁基-2,4-二硝基吡咯-1-乙酰胺. Following Lipinski's Rule of Five, N-丁基-2,4-二硝基吡咯-1-乙酰胺 has 1 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-丁基-2,4-二硝基吡咯-1-乙酰胺?
The CAS number of N-丁基-2,4-二硝基吡咯-1-乙酰胺 is 42578-91-6.
What is the molecular formula of N-丁基-2,4-二硝基吡咯-1-乙酰胺?
The molecular formula of N-丁基-2,4-二硝基吡咯-1-乙酰胺 is C10H14N4O5.
What is the molecular weight of N-丁基-2,4-二硝基吡咯-1-乙酰胺?
The molecular weight of N-丁基-2,4-二硝基吡咯-1-乙酰胺 is 270.10 g/mol.
Where can I buy N-丁基-2,4-二硝基吡咯-1-乙酰胺?
You can request a quote for N-丁基-2,4-二硝基吡咯-1-乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基-2,4-二硝基吡咯-1-乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基-2,4-二硝基吡咯-1-乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.