N-Neopentyl-N-nitrosourea
TL;DR: N-Neopentyl-N-nitrosourea (CAS 22429-86-3) is a chemical compound with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylpropyl)-1-nitrosourea
Also Known As: N-Neopentyl-N-nitrosourea, neoPNU, 1-Neopentyl-1-nitrosourea, 1-(2,2-dimethylpropyl)-1-nitrosourea, cadmium(II) acetate trihydrate
| Molecular Formula | C6H13N3O2 |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.10077 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 22429-86-3 |
|---|---|
| SMILES | CC(C)(C)CN(C(=O)N)N=O |
| InChIKey | LDVHWWSAJLYWRV-UHFFFAOYSA-N |
Product Overview
N-Neopentyl-N-nitrosourea (CAS 22429-86-3), with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol. IUPAC: 1-(2,2-dimethylpropyl)-1-nitrosourea.
Chemical Property Profile of N-Neopentyl-N-nitrosourea
Property Insights of N-Neopentyl-N-nitrosourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Neopentyl-N-nitrosourea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Neopentyl-N-nitrosourea. Following Lipinski's Rule of Five, N-Neopentyl-N-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
Frequently Asked Questions
What is the CAS number of N-Neopentyl-N-nitrosourea?
The CAS number of N-Neopentyl-N-nitrosourea is 22429-86-3.
What is the molecular formula of N-Neopentyl-N-nitrosourea?
The molecular formula of N-Neopentyl-N-nitrosourea is C6H13N3O2.
What is the molecular weight of N-Neopentyl-N-nitrosourea?
The molecular weight of N-Neopentyl-N-nitrosourea is 159.10 g/mol.
Where can I buy N-Neopentyl-N-nitrosourea?
You can request a quote for N-Neopentyl-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Neopentyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-Neopentyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.