N-amyl-N-nitrosourethane
TL;DR: N-amyl-N-nitrosourethane (CAS 64005-62-5) is a chemical compound with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitroso-N-pentylcarbamate
Also Known As: N-Amyl-N-nitrosourethane, Nitrosoamylurethane, ANUR, ethyl nitroso(pentyl)carbamate, NITROSOAMYLURETHAN
| Molecular Formula | C8H16N2O3 |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.11609 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 64005-62-5 |
|---|---|
| SMILES | CCCCCN(C(=O)OCC)N=O |
| InChIKey | QKACYYADMAYIDQ-UHFFFAOYSA-N |
Product Overview
N-amyl-N-nitrosourethane (CAS 64005-62-5), with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol. IUPAC: ethyl N-nitroso-N-pentylcarbamate.
Chemical Property Profile of N-amyl-N-nitrosourethane
Property Insights of N-amyl-N-nitrosourethane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-amyl-N-nitrosourethane. With a topological polar surface area (TPSA) of 59.0 Ų, N-amyl-N-nitrosourethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-amyl-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-amyl-N-nitrosourethane?
The CAS number of N-amyl-N-nitrosourethane is 64005-62-5.
What is the molecular formula of N-amyl-N-nitrosourethane?
The molecular formula of N-amyl-N-nitrosourethane is C8H16N2O3.
What is the molecular weight of N-amyl-N-nitrosourethane?
The molecular weight of N-amyl-N-nitrosourethane is 188.12 g/mol.
Where can I buy N-amyl-N-nitrosourethane?
You can request a quote for N-amyl-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-amyl-N-nitrosourethane?
Yes, KEHONG BIO provides custom synthesis services for N-amyl-N-nitrosourethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.