N-甲基-4,4,4-三硝基丁酰胺
TL;DR: N-甲基-4,4,4-三硝基丁酰胺 (CAS 13013-03-1) is a chemical compound with molecular formula C5H8N4O7 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-4,4,4-三硝基丁酰胺
N-methyl-4,4,4-trinitrobutanamide
Also Known As: N-Methyl-4,4,4-trinitrobutyramide, N-methyl-4,4,4-trinitrobutanamide, BUTYRAMIDE, N-METHYL-4,4,4-TRINITRO-, RefChem:1091895
| Molecular Formula | C5H8N4O7 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.03929 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 13013-03-1 |
|---|---|
| SMILES | CNC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BWCADZWTQWOAKT-UHFFFAOYSA-N |
Product Overview
N-甲基-4,4,4-三硝基丁酰胺 (CAS 13013-03-1), with molecular formula C5H8N4O7 and molecular weight 236.04 g/mol. IUPAC: N-methyl-4,4,4-trinitrobutanamide.
Chemical Property Profile of N-甲基-4,4,4-三硝基丁酰胺
Property Insights of N-甲基-4,4,4-三硝基丁酰胺
The XLogP value of -0.4 indicates that N-甲基-4,4,4-三硝基丁酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting N-甲基-4,4,4-三硝基丁酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-甲基-4,4,4-三硝基丁酰胺 has 1 hydrogen bond donor(s) and 7 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-甲基-4,4,4-三硝基丁酰胺?
The CAS number of N-甲基-4,4,4-三硝基丁酰胺 is 13013-03-1.
What is the molecular formula of N-甲基-4,4,4-三硝基丁酰胺?
The molecular formula of N-甲基-4,4,4-三硝基丁酰胺 is C5H8N4O7.
What is the molecular weight of N-甲基-4,4,4-三硝基丁酰胺?
The molecular weight of N-甲基-4,4,4-三硝基丁酰胺 is 236.04 g/mol.
Where can I buy N-甲基-4,4,4-三硝基丁酰胺?
You can request a quote for N-甲基-4,4,4-三硝基丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-4,4,4-三硝基丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-4,4,4-三硝基丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.