1-Benzyl-2-nitro-1-nitrosoguanidine
TL;DR: 1-Benzyl-2-nitro-1-nitrosoguanidine (CAS 5461-82-5) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-nitro-1-nitrosoguanidine
Also Known As: 1-Benzyl-3-nitro-1-nitrosoguanidine, N-(Phenylmethyl)-N'-nitro-N-nitrosoguanidine, GUANIDINE, 1-BENZYL-3-NITRO-1-NITROSO-, 4-16-00-00872 (Beilstein Handbook Reference), Guanidine, N-nitro-N-nitroso-N'-(phenylmethyl)-
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 5461-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C(=N[N+](=O)[O-])N)N=O |
| InChIKey | SMYKVVLMBLTJKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-2-nitro-1-nitrosoguanidine (CAS 5461-82-5), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: 1-benzyl-2-nitro-1-nitrosoguanidine.
Chemical Property Profile of 1-Benzyl-2-nitro-1-nitrosoguanidine
Property Insights of 1-Benzyl-2-nitro-1-nitrosoguanidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-nitro-1-nitrosoguanidine. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-2-nitro-1-nitrosoguanidine. Following Lipinski's Rule of Five, 1-Benzyl-2-nitro-1-nitrosoguanidine 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 1-Benzyl-2-nitro-1-nitrosoguanidine?
The CAS number of 1-Benzyl-2-nitro-1-nitrosoguanidine is 5461-82-5.
What is the molecular formula of 1-Benzyl-2-nitro-1-nitrosoguanidine?
The molecular formula of 1-Benzyl-2-nitro-1-nitrosoguanidine is C8H9N5O3.
What is the molecular weight of 1-Benzyl-2-nitro-1-nitrosoguanidine?
The molecular weight of 1-Benzyl-2-nitro-1-nitrosoguanidine is 223.07 g/mol.
Where can I buy 1-Benzyl-2-nitro-1-nitrosoguanidine?
You can request a quote for 1-Benzyl-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-Benzyl-2-nitro-1-nitrosoguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-nitro-1-nitrosoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.