N-n-Butyl-N-nitrosourethane
TL;DR: N-n-Butyl-N-nitrosourethane (CAS 6558-78-7) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-butyl-N-nitrosocarbamate
Also Known As: BNUR, N-n-Butyl-N-nitrosourethane, N-Nitrosobutylurethane, N-Butyl-N-nitrosourethane, N-Butyl-N-nitrosourethan
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 6558-78-7 |
|---|---|
| SMILES | CCCCN(C(=O)OCC)N=O |
| InChIKey | RABAKMVAMFRJLX-UHFFFAOYSA-N |
Product Overview
N-n-Butyl-N-nitrosourethane (CAS 6558-78-7), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: ethyl N-butyl-N-nitrosocarbamate.
Chemical Property Profile of N-n-Butyl-N-nitrosourethane
Property Insights of N-n-Butyl-N-nitrosourethane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-n-Butyl-N-nitrosourethane. With a topological polar surface area (TPSA) of 59.0 Ų, N-n-Butyl-N-nitrosourethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-n-Butyl-N-nitrosourethane has 0 hydrogen bond donor(s) and 4 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-n-Butyl-N-nitrosourethane?
The CAS number of N-n-Butyl-N-nitrosourethane is 6558-78-7.
What is the molecular formula of N-n-Butyl-N-nitrosourethane?
The molecular formula of N-n-Butyl-N-nitrosourethane is C7H14N2O3.
What is the molecular weight of N-n-Butyl-N-nitrosourethane?
The molecular weight of N-n-Butyl-N-nitrosourethane is 174.10 g/mol.
Where can I buy N-n-Butyl-N-nitrosourethane?
You can request a quote for N-n-Butyl-N-nitrosourethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-n-Butyl-N-nitrosourethane?
Yes, KEHONG BIO provides custom synthesis services for N-n-Butyl-N-nitrosourethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.