3-(3-Nitrobenzyloxy)benzonitrile
TL;DR: 3-(3-Nitrobenzyloxy)benzonitrile (CAS 80555-85-7) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-nitrophenyl)methoxy]benzonitrile
Also Known As: 3-[(3-nitrobenzyl)oxy]benzonitrile, 3-(3-nitrobenzyloxy)benzonitrile, 3-[3-nitrobenzyloxy]benzonitrile, 3-[(3-nitrophenyl)methoxy]benzonitrile
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.04548 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 647.13446 |
Chemical Identifiers
| CAS Number | 80555-85-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=CC(=C2)C#N |
Product Overview
3-(3-Nitrobenzyloxy)benzonitrile (CAS 80555-85-7), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: 3-[(3-nitrophenyl)methoxy]benzonitrile.
Chemical Property Profile of 3-(3-Nitrobenzyloxy)benzonitrile
Property Insights of 3-(3-Nitrobenzyloxy)benzonitrile
The XLogP value of 3.04548 indicates that 3-(3-Nitrobenzyloxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrobenzyloxy)benzonitrile. Following Lipinski's Rule of Five, 3-(3-Nitrobenzyloxy)benzonitrile 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 3-(3-Nitrobenzyloxy)benzonitrile?
The CAS number of 3-(3-Nitrobenzyloxy)benzonitrile is 80555-85-7.
What is the molecular formula of 3-(3-Nitrobenzyloxy)benzonitrile?
The molecular formula of 3-(3-Nitrobenzyloxy)benzonitrile is C14H10N2O3.
What is the molecular weight of 3-(3-Nitrobenzyloxy)benzonitrile?
The molecular weight of 3-(3-Nitrobenzyloxy)benzonitrile is 254.07 g/mol.
Where can I buy 3-(3-Nitrobenzyloxy)benzonitrile?
You can request a quote for 3-(3-Nitrobenzyloxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitrobenzyloxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrobenzyloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.