1-Butyl-3,3-dimethyl-1-nitrosourea
TL;DR: 1-Butyl-3,3-dimethyl-1-nitrosourea (CAS 58301-37-4) is a chemical compound with molecular formula CCCCN(C(=O)N(C)C)N=O and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3,3-dimethyl-1-nitrosourea
Also Known As: 1-Butyl-3,3-dimethyl-1-nitrosourea, N-Butyl-N',N'-dimethyl-N-nitrosourea, 3,3-Dimethyl-1-butyl-1-nitrosourea, Dimethyl- Butylnitrosoharnstoff, Urea, 1-butyl-3,3-dimethyl-1-nitroso-
| Molecular Formula | CCCCN(C(=O)N(C)C)N=O |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.11642 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 58301-37-4 |
|---|---|
| SMILES | CCCCN(C(=O)N(C)C)N=O |
| InChIKey | PRGVZPQYBQXJOV-UHFFFAOYSA-N |
Product Overview
1-Butyl-3,3-dimethyl-1-nitrosourea (CAS 58301-37-4), with molecular formula CCCCN(C(=O)N(C)C)N=O and molecular weight 173.12 g/mol. IUPAC: 1-butyl-3,3-dimethyl-1-nitrosourea.
Chemical Property Profile of 1-Butyl-3,3-dimethyl-1-nitrosourea
Property Insights of 1-Butyl-3,3-dimethyl-1-nitrosourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3,3-dimethyl-1-nitrosourea. With a topological polar surface area (TPSA) of 53.0 Ų, 1-Butyl-3,3-dimethyl-1-nitrosourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3,3-dimethyl-1-nitrosourea has 0 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 1-Butyl-3,3-dimethyl-1-nitrosourea?
The CAS number of 1-Butyl-3,3-dimethyl-1-nitrosourea is 58301-37-4.
What is the molecular formula of 1-Butyl-3,3-dimethyl-1-nitrosourea?
The molecular formula of 1-Butyl-3,3-dimethyl-1-nitrosourea is CCCCN(C(=O)N(C)C)N=O.
What is the molecular weight of 1-Butyl-3,3-dimethyl-1-nitrosourea?
The molecular weight of 1-Butyl-3,3-dimethyl-1-nitrosourea is 173.12 g/mol.
Where can I buy 1-Butyl-3,3-dimethyl-1-nitrosourea?
You can request a quote for 1-Butyl-3,3-dimethyl-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-Butyl-3,3-dimethyl-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3,3-dimethyl-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.