4-Isocyano-1-methyl-2-nitrobenzene
TL;DR: 4-Isocyano-1-methyl-2-nitrobenzene (CAS 1930-92-3) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyano-1-methyl-2-nitrobenzene
Also Known As: 4-isocyano-1-methyl-2-nitrobenzene, 1-Isocyano-4-methyl-3-nitrobenzene, Benzene, 1-isocyano-4-methyl-3-nitro-, RefChem:1070990
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 1930-92-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-] |
| InChIKey | SYOOTANVMYGYGF-UHFFFAOYSA-N |
Product Overview
4-Isocyano-1-methyl-2-nitrobenzene (CAS 1930-92-3), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 4-isocyano-1-methyl-2-nitrobenzene.
Chemical Property Profile of 4-Isocyano-1-methyl-2-nitrobenzene
Property Insights of 4-Isocyano-1-methyl-2-nitrobenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isocyano-1-methyl-2-nitrobenzene. With a topological polar surface area (TPSA) of 50.2 Ų, 4-Isocyano-1-methyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocyano-1-methyl-2-nitrobenzene has 0 hydrogen bond donor(s) and 3 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 4-Isocyano-1-methyl-2-nitrobenzene?
The CAS number of 4-Isocyano-1-methyl-2-nitrobenzene is 1930-92-3.
What is the molecular formula of 4-Isocyano-1-methyl-2-nitrobenzene?
The molecular formula of 4-Isocyano-1-methyl-2-nitrobenzene is C8H6N2O2.
What is the molecular weight of 4-Isocyano-1-methyl-2-nitrobenzene?
The molecular weight of 4-Isocyano-1-methyl-2-nitrobenzene is 162.04 g/mol.
Where can I buy 4-Isocyano-1-methyl-2-nitrobenzene?
You can request a quote for 4-Isocyano-1-methyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isocyano-1-methyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Isocyano-1-methyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.