Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-
TL;DR: Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- (CAS 6853-91-4) is a chemical compound with molecular formula C3H6BrN5O3 and molecular weight 238.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethyl)-1-nitro-1-nitrosoguanidine
Also Known As: Lupanine, 17-oxo-, hydrochloride, Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-, N-(2-Bromoethyl)-N-nitro-N-nitrosoguanidine, 1-(2-Bromoethyl)-3-nitro-1-nitrosoguanidine, 2-(2-bromoethyl)-1-nitro-1-nitrosoguanidine
| Molecular Formula | C3H6BrN5O3 |
|---|---|
| Molecular Weight | 238.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.9654 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 6853-91-4 |
|---|---|
| SMILES | C(CBr)N=C(N)N(N=O)[N+](=O)[O-] |
| InChIKey | AFWZVTOXVKVSIR-UHFFFAOYSA-N |
Product Overview
Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- (CAS 6853-91-4), with molecular formula C3H6BrN5O3 and molecular weight 238.97 g/mol. IUPAC: 2-(2-bromoethyl)-1-nitro-1-nitrosoguanidine.
Chemical Property Profile of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-
Property Insights of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-. Following Lipinski's Rule of Five, Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- 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 Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-?
The CAS number of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- is 6853-91-4.
What is the molecular formula of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-?
The molecular formula of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- is C3H6BrN5O3.
What is the molecular weight of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-?
The molecular weight of Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- is 238.97 g/mol.
Where can I buy Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-?
You can request a quote for Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, N-(2-bromoethyl)-N-nitro-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.