1-naphthyl-N-ethyl-N-nitrosocarbamate
TL;DR: 1-naphthyl-N-ethyl-N-nitrosocarbamate (CAS 76206-36-5) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl N-ethyl-N-nitrosocarbamate
Also Known As: 1-Naphthyl-N-ethyl-N-nitrosocarbamate, 1-Naphthyl N-ethyl-N-nitrosocarbamate, N-Ethyl-N-nitrosocarbamic acid 1-naphthyl ester, naphthalen-1-yl N-ethyl-N-nitrosocarbamate, Naphthalen-1-yl ethyl(nitroso)carbamate
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 76206-36-5 |
|---|---|
| SMILES | CCN(C(=O)OC1=CC=CC2=CC=CC=C21)N=O |
| InChIKey | HLTSAAUNFXIGTA-UHFFFAOYSA-N |
Product Overview
1-naphthyl-N-ethyl-N-nitrosocarbamate (CAS 76206-36-5), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: naphthalen-1-yl N-ethyl-N-nitrosocarbamate.
Chemical Property Profile of 1-naphthyl-N-ethyl-N-nitrosocarbamate
Property Insights of 1-naphthyl-N-ethyl-N-nitrosocarbamate
The XLogP value of 3.2 indicates that 1-naphthyl-N-ethyl-N-nitrosocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 1-naphthyl-N-ethyl-N-nitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-naphthyl-N-ethyl-N-nitrosocarbamate 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 1-naphthyl-N-ethyl-N-nitrosocarbamate?
The CAS number of 1-naphthyl-N-ethyl-N-nitrosocarbamate is 76206-36-5.
What is the molecular formula of 1-naphthyl-N-ethyl-N-nitrosocarbamate?
The molecular formula of 1-naphthyl-N-ethyl-N-nitrosocarbamate is C13H12N2O3.
What is the molecular weight of 1-naphthyl-N-ethyl-N-nitrosocarbamate?
The molecular weight of 1-naphthyl-N-ethyl-N-nitrosocarbamate is 244.08 g/mol.
Where can I buy 1-naphthyl-N-ethyl-N-nitrosocarbamate?
You can request a quote for 1-naphthyl-N-ethyl-N-nitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-naphthyl-N-ethyl-N-nitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-naphthyl-N-ethyl-N-nitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.