Benzene, 1-isocyano-2-methoxy-4-nitro-
TL;DR: Benzene, 1-isocyano-2-methoxy-4-nitro- (CAS 2008-62-0) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-2-methoxy-4-nitrobenzene
Also Known As: 1-Isocyano-2-methoxy-4-nitrobenzene, 2-Methoxy-4-nitrophenyl isocyanide, Benzene, 1-isocyano-2-methoxy-4-nitro-, 2-Methoxy-4-nitrophenylisocyanide, J3.010.163D
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 2008-62-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#[C-] |
| InChIKey | VDKINYWOFNMGRL-UHFFFAOYSA-N |
Product Overview
Benzene, 1-isocyano-2-methoxy-4-nitro- (CAS 2008-62-0), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 1-isocyano-2-methoxy-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-isocyano-2-methoxy-4-nitro-
Property Insights of Benzene, 1-isocyano-2-methoxy-4-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-isocyano-2-methoxy-4-nitro-. With a topological polar surface area (TPSA) of 59.4 Ų, Benzene, 1-isocyano-2-methoxy-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-isocyano-2-methoxy-4-nitro- 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 Benzene, 1-isocyano-2-methoxy-4-nitro-?
The CAS number of Benzene, 1-isocyano-2-methoxy-4-nitro- is 2008-62-0.
What is the molecular formula of Benzene, 1-isocyano-2-methoxy-4-nitro-?
The molecular formula of Benzene, 1-isocyano-2-methoxy-4-nitro- is C8H6N2O3.
What is the molecular weight of Benzene, 1-isocyano-2-methoxy-4-nitro-?
The molecular weight of Benzene, 1-isocyano-2-methoxy-4-nitro- is 178.04 g/mol.
Where can I buy Benzene, 1-isocyano-2-methoxy-4-nitro-?
You can request a quote for Benzene, 1-isocyano-2-methoxy-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-isocyano-2-methoxy-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-isocyano-2-methoxy-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.