Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate
TL;DR: Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate (CAS 22270-65-1) is a chemical compound with molecular formula C20H22N6O8 and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2,4,6-trinitrophenolate
Also Known As: N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide monopicrate, BUTYRAMIDE, N-(2-(1-BENZIMIDAZOLYL)ETHYL)-3-METHYL-, MONOPICRATE, N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide; 2,4,6-trinitrophenolate, RefChem:331187
| Molecular Formula | C20H22N6O8 |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1499 |
| Heavy Atoms | 34 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 22270-65-1 |
|---|---|
| SMILES | CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GLCBSUZNLJKRNP-UHFFFAOYSA-N |
Product Overview
Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate (CAS 22270-65-1), with molecular formula C20H22N6O8 and molecular weight 474.15 g/mol. IUPAC: N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2,4,6-trinitrophenolate.
Chemical Property Profile of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate
Property Insights of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate. The TPSA of 209.0 Ų indicates high polarity, suggesting Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate has 2 hydrogen bond donor(s) and 8 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 Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate?
The CAS number of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate is 22270-65-1.
What is the molecular formula of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate?
The molecular formula of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate is C20H22N6O8.
What is the molecular weight of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate?
The molecular weight of Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate is 474.15 g/mol.
Where can I buy Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate?
You can request a quote for Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.