1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine
TL;DR: 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine (CAS 64398-16-9) is a chemical compound with molecular formula C4H8ClN5O3 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)-2-nitro-1-nitrosoguanidine
Also Known As: Guanidine, N-(3-chloropropyl)-N'-nitro-N-nitroso-, 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine
| Molecular Formula | C4H8ClN5O3 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 0.1051 |
| Topological Polar Surface Area | 114.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.03157 |
| Heavy Atoms | 13 |
| Complexity | 219.82504 |
Chemical Identifiers
| CAS Number | 64398-16-9 |
|---|---|
| SMILES | C(CN(/C(=N/[N+](=O)[O-])/N)N=O)CCl |
Product Overview
1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine (CAS 64398-16-9), with molecular formula C4H8ClN5O3 and molecular weight 209.03 g/mol. IUPAC: 1-(3-chloropropyl)-2-nitro-1-nitrosoguanidine.
Chemical Property Profile of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine
Property Insights of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine
The XLogP value of 0.1051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine. The TPSA of 114.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine. Following Lipinski's Rule of Five, 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine 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-Nitroso-1-(3-chloropropyl)-3-nitroguanidine?
The CAS number of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine is 64398-16-9.
What is the molecular formula of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine?
The molecular formula of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine is C4H8ClN5O3.
What is the molecular weight of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine?
The molecular weight of 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine is 209.03 g/mol.
Where can I buy 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine?
You can request a quote for 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1-(3-chloropropyl)-3-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.