2-Iodo-1-methoxy-3-nitrobenzene
TL;DR: 2-Iodo-1-methoxy-3-nitrobenzene (CAS 98991-08-3) is a chemical compound with molecular formula C7H6INO3 and molecular weight 278.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-1-methoxy-3-nitrobenzene
Also Known As: 2-Iodo-1-methoxy-3-nitrobenzene, 2-Iodo-3-nitroanisole, 2-IODO-1-METHOXY-3-NITRO-BENZENE, 2-Iodo-3-methoxynitrobenzene, Benzene,2-iodo-1-methoxy-3-nitro-
| Molecular Formula | C7H6INO3 |
|---|---|
| Molecular Weight | 278.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.93924 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 98991-08-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1I)[N+](=O)[O-] |
| InChIKey | IJNNDGXIXMHYOG-UHFFFAOYSA-N |
Product Overview
2-Iodo-1-methoxy-3-nitrobenzene (CAS 98991-08-3), with molecular formula C7H6INO3 and molecular weight 278.94 g/mol. IUPAC: 2-iodo-1-methoxy-3-nitrobenzene.
Chemical Property Profile of 2-Iodo-1-methoxy-3-nitrobenzene
Property Insights of 2-Iodo-1-methoxy-3-nitrobenzene
The XLogP value of 3.0 indicates that 2-Iodo-1-methoxy-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Iodo-1-methoxy-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-1-methoxy-3-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 2-Iodo-1-methoxy-3-nitrobenzene?
The CAS number of 2-Iodo-1-methoxy-3-nitrobenzene is 98991-08-3.
What is the molecular formula of 2-Iodo-1-methoxy-3-nitrobenzene?
The molecular formula of 2-Iodo-1-methoxy-3-nitrobenzene is C7H6INO3.
What is the molecular weight of 2-Iodo-1-methoxy-3-nitrobenzene?
The molecular weight of 2-Iodo-1-methoxy-3-nitrobenzene is 278.94 g/mol.
Where can I buy 2-Iodo-1-methoxy-3-nitrobenzene?
You can request a quote for 2-Iodo-1-methoxy-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-1-methoxy-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-1-methoxy-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.