1,1'-Pentamethylenebis(3-methyl-3-nitrosourea
TL;DR: 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea (CAS 93507-75-6) is a chemical compound with molecular formula C9H18N6O4 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[5-[[methyl(nitroso)carbamoyl]amino]pentyl]-1-nitrosourea
Also Known As: Urea, 1,1'-pentamethylenebis(3-methyl-3-nitroso-, 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea), 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea, N,N''-1,5-Pentanediylbis(N'-methyl-N'-nitrosourea), Urea, N,N''-1,5-pentanediylbis(N'-methyl-N'-nitroso-
| Molecular Formula | C9H18N6O4 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.13895 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 93507-75-6 |
|---|---|
| SMILES | CN(C(=O)NCCCCCNC(=O)N(C)N=O)N=O |
| InChIKey | CZFFBIAMHLPJJM-UHFFFAOYSA-N |
Product Overview
1,1'-Pentamethylenebis(3-methyl-3-nitrosourea (CAS 93507-75-6), with molecular formula C9H18N6O4 and molecular weight 274.14 g/mol. IUPAC: 1-methyl-3-[5-[[methyl(nitroso)carbamoyl]amino]pentyl]-1-nitrosourea.
Chemical Property Profile of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea
Property Insights of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea. Following Lipinski's Rule of Five, 1,1'-Pentamethylenebis(3-methyl-3-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'-Pentamethylenebis(3-methyl-3-nitrosourea?
The CAS number of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea is 93507-75-6.
What is the molecular formula of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea?
The molecular formula of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea is C9H18N6O4.
What is the molecular weight of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea?
The molecular weight of 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea is 274.14 g/mol.
Where can I buy 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea?
You can request a quote for 1,1'-Pentamethylenebis(3-methyl-3-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'-Pentamethylenebis(3-methyl-3-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.