NCX 4050
TL;DR: NCX 4050 (CAS 290335-23-8) is a chemical compound with molecular formula C16H14N2O7 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(nitrooxymethyl)-2-pyridinyl]methyl 2-acetyloxybenzoate
Also Known As: NCX 4050, 2-Acetyloxybenzoic acid (6-(nitrooxymethyl)-2-pyridinyl)methyl ester, Benzoic acid, 2-(acetyloxy)-, (6-((nitrooxy)methyl)-2-pyridinyl)methyl ester, [6-(nitrooxymethyl)pyridin-2-yl]methyl 2-acetyloxybenzoate
| Molecular Formula | C16H14N2O7 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 2.0722 |
| Topological Polar Surface Area | 117.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.0801 |
| Heavy Atoms | 25 |
| Complexity | 791.5576 |
Chemical Identifiers
| CAS Number | 290335-23-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCC2=NC(=CC=C2)CO[N+](=O)[O-] |
Product Overview
NCX 4050 (CAS 290335-23-8), with molecular formula C16H14N2O7 and molecular weight 346.08 g/mol. IUPAC: [6-(nitrooxymethyl)-2-pyridinyl]methyl 2-acetyloxybenzoate.
Chemical Property Profile of NCX 4050
Property Insights of NCX 4050
The XLogP value of 2.0722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCX 4050. The TPSA of 117.86 Ų falls within the moderate polarity range, balancing permeability and solubility for NCX 4050. Following Lipinski's Rule of Five, NCX 4050 has 0 hydrogen bond donor(s) and 8 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 NCX 4050?
The CAS number of NCX 4050 is 290335-23-8.
What is the molecular formula of NCX 4050?
The molecular formula of NCX 4050 is C16H14N2O7.
What is the molecular weight of NCX 4050?
The molecular weight of NCX 4050 is 346.08 g/mol.
Where can I buy NCX 4050?
You can request a quote for NCX 4050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCX 4050?
Yes, KEHONG BIO provides custom synthesis services for NCX 4050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.