1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine
TL;DR: 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine (CAS 5461-85-8) is a chemical compound with molecular formula C5H11N5O3 and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-2-nitro-1-nitrosoguanidine
Also Known As: Isobutylnitrosonitroguanidine, N-Isobutyl-N'-nitro-N-nitrosoguanidine, 1-Isobutyl-3-nitro-1-nitrosoguanidine, 1-(2-Methylpropyl)-3-nitro-1-nitrosoguanidine, GUANIDINE, 1-ISOBUTYL-3-NITRO-1-NITROSO-
| Molecular Formula | C5H11N5O3 |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 0.1322 |
| Topological Polar Surface Area | 114.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.08618 |
| Heavy Atoms | 13 |
| Complexity | 226.20975 |
Chemical Identifiers
| CAS Number | 5461-85-8 |
|---|---|
| SMILES | CC(C)CN(/C(=N/[N+](=O)[O-])/N)N=O |
Product Overview
1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine (CAS 5461-85-8), with molecular formula C5H11N5O3 and molecular weight 189.09 g/mol. IUPAC: 1-(2-methylpropyl)-2-nitro-1-nitrosoguanidine.
Chemical Property Profile of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine
Property Insights of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine
The XLogP value of 0.1322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine. The TPSA of 114.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine. Following Lipinski's Rule of Five, 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine has 1 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-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine?
The CAS number of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine is 5461-85-8.
What is the molecular formula of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine?
The molecular formula of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine is C5H11N5O3.
What is the molecular weight of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine?
The molecular weight of 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine is 189.09 g/mol.
Where can I buy 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine?
You can request a quote for 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.