![2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile structure](/static/products/4000/400085-98-5.webp)
2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile
TL;DR: 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile (CAS 400085-98-5) is a chemical compound with molecular formula C12H9N5O3 and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methoxyamino]pyrimidine-5-carbonitrile
Also Known As: 2-{[(4-nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile, 2-[(4-nitrophenyl)methoxyamino]pyrimidine-5-carbonitrile, 7E-037, 2-{[(4-nitrophenyl)methoxy]amino}pyrimidine-5-carbonitrile
| Molecular Formula | C12H9N5O3 |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 1.80018 |
| Topological Polar Surface Area | 113.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.07053 |
| Heavy Atoms | 20 |
| Complexity | 633.6375 |
Chemical Identifiers
| CAS Number | 400085-98-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CONC2=NC=C(C=N2)C#N)[N+](=O)[O-] |
Product Overview
2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile (CAS 400085-98-5), with molecular formula C12H9N5O3 and molecular weight 271.07 g/mol. IUPAC: 2-[(4-nitrophenyl)methoxyamino]pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile
Property Insights of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile
The XLogP value of 1.80018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile. The TPSA of 113.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 7 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 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile?
The CAS number of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile is 400085-98-5.
What is the molecular formula of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile?
The molecular formula of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile is C12H9N5O3.
What is the molecular weight of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile?
The molecular weight of 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile is 271.07 g/mol.
Where can I buy 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile?
You can request a quote for 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Nitrobenzyl)oxy]amino}-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.