N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine
TL;DR: N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine (CAS 70490-99-2) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[benzyl(nitroso)amino]-phenylmethyl] acetate
Also Known As: N- -N-benzylnitrosamine, alpha-Acetoxy-N-nitrosodibenzylamine, N-Benzyl-N-(alpha-acetoxybenzyl)nitrosamine, Dibenzylamine, alpha-acetoxy-N-nitroso-, N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 70490-99-2 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)N(CC2=CC=CC=C2)N=O |
| InChIKey | IMXQCEKDOLZHNU-UHFFFAOYSA-N |
Product Overview
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine (CAS 70490-99-2), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: [[benzyl(nitroso)amino]-phenylmethyl] acetate.
Chemical Property Profile of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine
Property Insights of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine
The XLogP value of 3.2 indicates that N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine has 0 hydrogen bond donor(s) and 5 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-(alpha-Acetoxybenzyl)-N-benzylnitrosamine?
The CAS number of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine is 70490-99-2.
What is the molecular formula of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine?
The molecular formula of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine is C16H16N2O3.
What is the molecular weight of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine?
The molecular weight of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine is 284.12 g/mol.
Where can I buy N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine?
You can request a quote for N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.