Bis(N-carbamyl-N-nitroso)hexamethylenediamine
TL;DR: Bis(N-carbamyl-N-nitroso)hexamethylenediamine (CAS 27640-22-8) is a chemical compound with molecular formula C8H16N6O4 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[carbamoyl(nitroso)amino]hexyl]-1-nitrosourea
Also Known As: Bis(N-carbamyl-N-nitroso)hexamethylenediamine, Cid 93113, N-Carbamyl-N-nitrosohexamethylenediamine, 1,1'-hexane-1,6-diylbis(1-nitrosourea), Urea, 1,1'-hexamethylenebis(1-nitroso-
| Molecular Formula | C8H16N6O4 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.1233 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 27640-22-8 |
|---|---|
| SMILES | C(CCCN(C(=O)N)N=O)CCN(C(=O)N)N=O |
| InChIKey | RRUYOJAFICBJOF-UHFFFAOYSA-N |
Product Overview
Bis(N-carbamyl-N-nitroso)hexamethylenediamine (CAS 27640-22-8), with molecular formula C8H16N6O4 and molecular weight 260.12 g/mol. IUPAC: 1-[6-[carbamoyl(nitroso)amino]hexyl]-1-nitrosourea.
Chemical Property Profile of Bis(N-carbamyl-N-nitroso)hexamethylenediamine
Property Insights of Bis(N-carbamyl-N-nitroso)hexamethylenediamine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(N-carbamyl-N-nitroso)hexamethylenediamine. The TPSA of 152.0 Ų indicates high polarity, suggesting Bis(N-carbamyl-N-nitroso)hexamethylenediamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(N-carbamyl-N-nitroso)hexamethylenediamine has 2 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 Bis(N-carbamyl-N-nitroso)hexamethylenediamine?
The CAS number of Bis(N-carbamyl-N-nitroso)hexamethylenediamine is 27640-22-8.
What is the molecular formula of Bis(N-carbamyl-N-nitroso)hexamethylenediamine?
The molecular formula of Bis(N-carbamyl-N-nitroso)hexamethylenediamine is C8H16N6O4.
What is the molecular weight of Bis(N-carbamyl-N-nitroso)hexamethylenediamine?
The molecular weight of Bis(N-carbamyl-N-nitroso)hexamethylenediamine is 260.12 g/mol.
Where can I buy Bis(N-carbamyl-N-nitroso)hexamethylenediamine?
You can request a quote for Bis(N-carbamyl-N-nitroso)hexamethylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(N-carbamyl-N-nitroso)hexamethylenediamine?
Yes, KEHONG BIO provides custom synthesis services for Bis(N-carbamyl-N-nitroso)hexamethylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.