1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea
TL;DR: 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea (CAS 13908-78-6) is a chemical compound with molecular formula C9H17Cl2N3O2 and molecular weight 269.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(1-chlorobutan-2-yl)-1-nitrosourea
Also Known As: 1,3-bis(1-chlorobutan-2-yl)-1-nitrosourea, KST-1B0368, N,N'-Bis(1-chlorobutan-2-yl)-N-nitrosourea, Urea,N,N'-bis[1-(chloromethyl)propyl]-N'-nitroso-, Urea,1'-(oxydi-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso
Technical Specifications
| Molecular Formula | C9H17Cl2N3O2 |
| Molecular Weight | 269.0698 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.0698 Da |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
| SMILES | CCC(CCl)NC(=O)N(C(CC)CCl)N=O |
| InChIKey | DCJOIBGRIXKUPG-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea
Property Insights of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea. Following Lipinski's Rule of Five, 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea?
The CAS number of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea is 13908-78-6.
What is the molecular formula of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea?
The molecular formula of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea is C9H17Cl2N3O2.
What is the molecular weight of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea?
The molecular weight of 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea is 269.0698 g/mol.
Where can I buy 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea?
You can request a quote for 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea?
Yes, CoreyChem provides custom synthesis services for 1,3-Bis(1-chlorobutan-2-yl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.