1,1'-Tetramethylenebis(1-nitrosourea)
TL;DR: 1,1'-Tetramethylenebis(1-nitrosourea) (CAS 27640-20-6) is a chemical compound with molecular formula C6H12N6O4 and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[carbamoyl(nitroso)amino]butyl]-1-nitrosourea
Also Known As: Urea, 1,1'-tetramethylenebis(1-nitroso-, N-Carbamyl-N-nitrosotetramethylenediamine, 1,1'-Tetramethylenebis(1-nitrosourea), Urea, 1,1'-tetramethylenebis(1-nitroso)-, Urea, N,N''-1,4-butanediylbis(N-nitroso-
| Molecular Formula | C6H12N6O4 |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.09201 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 27640-20-6 |
|---|---|
| SMILES | C(CCN(C(=O)N)N=O)CN(C(=O)N)N=O |
| InChIKey | WOORRRTYKHSYDD-UHFFFAOYSA-N |
Product Overview
1,1'-Tetramethylenebis(1-nitrosourea) (CAS 27640-20-6), with molecular formula C6H12N6O4 and molecular weight 232.09 g/mol. IUPAC: 1-[4-[carbamoyl(nitroso)amino]butyl]-1-nitrosourea.
Chemical Property Profile of 1,1'-Tetramethylenebis(1-nitrosourea)
Property Insights of 1,1'-Tetramethylenebis(1-nitrosourea)
The XLogP value of -0.1 indicates that 1,1'-Tetramethylenebis(1-nitrosourea) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 1,1'-Tetramethylenebis(1-nitrosourea) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Tetramethylenebis(1-nitrosourea) 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 1,1'-Tetramethylenebis(1-nitrosourea)?
The CAS number of 1,1'-Tetramethylenebis(1-nitrosourea) is 27640-20-6.
What is the molecular formula of 1,1'-Tetramethylenebis(1-nitrosourea)?
The molecular formula of 1,1'-Tetramethylenebis(1-nitrosourea) is C6H12N6O4.
What is the molecular weight of 1,1'-Tetramethylenebis(1-nitrosourea)?
The molecular weight of 1,1'-Tetramethylenebis(1-nitrosourea) is 232.09 g/mol.
Where can I buy 1,1'-Tetramethylenebis(1-nitrosourea)?
You can request a quote for 1,1'-Tetramethylenebis(1-nitrosourea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Tetramethylenebis(1-nitrosourea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Tetramethylenebis(1-nitrosourea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.