Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-
TL;DR: Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- (CAS 88820-11-5) is a chemical compound with molecular formula C5H8ClN5O4 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-5-nitro-1,3-dinitroso-1,3-diazinane
Also Known As: 5-(chloromethyl)-5-nitro-1,3-dinitroso-1,3-diazinane, Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-, 5-(chloromethyl)-5-nitro-1,3-dinitrosohexahydropyrimidine, A0782/0036616, Pyrimidine,5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso
| Molecular Formula | C5H8ClN5O4 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 0.1786 |
| Topological Polar Surface Area | 108.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.02647 |
| Heavy Atoms | 15 |
| Complexity | 270.59595 |
Chemical Identifiers
| CAS Number | 88820-11-5 |
|---|---|
| SMILES | C1C(CN(CN1N=O)N=O)(CCl)[N+](=O)[O-] |
Product Overview
Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- (CAS 88820-11-5), with molecular formula C5H8ClN5O4 and molecular weight 237.03 g/mol. IUPAC: 5-(chloromethyl)-5-nitro-1,3-dinitroso-1,3-diazinane.
Chemical Property Profile of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-
Property Insights of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-
The XLogP value of 0.1786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-. The TPSA of 108.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-. Following Lipinski's Rule of Five, Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- has 0 hydrogen bond donor(s) and 6 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 Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-?
The CAS number of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- is 88820-11-5.
What is the molecular formula of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-?
The molecular formula of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- is C5H8ClN5O4.
What is the molecular weight of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-?
The molecular weight of Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- is 237.03 g/mol.
Where can I buy Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-?
You can request a quote for Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.