1-Isocyanato-2-methoxy-4-nitrobenzene
TL;DR: 1-Isocyanato-2-methoxy-4-nitrobenzene (CAS 33484-67-2) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-2-methoxy-4-nitrobenzene
Also Known As: 1-isocyanato-2-methoxy-4-nitrobenzene, 2-Methoxy-4-nitrophenyl isocyanate, 5-nitro-1H-pyrazole, Epitope ID:140102, 2-methoxy-4-nitrophenylisocyanate
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.5707 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 409.80234 |
Chemical Identifiers
| CAS Number | 33484-67-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=O |
Product Overview
1-Isocyanato-2-methoxy-4-nitrobenzene (CAS 33484-67-2), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 1-isocyanato-2-methoxy-4-nitrobenzene.
Chemical Property Profile of 1-Isocyanato-2-methoxy-4-nitrobenzene
Property Insights of 1-Isocyanato-2-methoxy-4-nitrobenzene
The XLogP value of 1.5707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-2-methoxy-4-nitrobenzene. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isocyanato-2-methoxy-4-nitrobenzene. Following Lipinski's Rule of Five, 1-Isocyanato-2-methoxy-4-nitrobenzene 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 1-Isocyanato-2-methoxy-4-nitrobenzene?
The CAS number of 1-Isocyanato-2-methoxy-4-nitrobenzene is 33484-67-2.
What is the molecular formula of 1-Isocyanato-2-methoxy-4-nitrobenzene?
The molecular formula of 1-Isocyanato-2-methoxy-4-nitrobenzene is C8H6N2O4.
What is the molecular weight of 1-Isocyanato-2-methoxy-4-nitrobenzene?
The molecular weight of 1-Isocyanato-2-methoxy-4-nitrobenzene is 194.03 g/mol.
Where can I buy 1-Isocyanato-2-methoxy-4-nitrobenzene?
You can request a quote for 1-Isocyanato-2-methoxy-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-2-methoxy-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-2-methoxy-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.