1-Iodo-2,5-dimethoxy-4-nitrobenzene
TL;DR: 1-Iodo-2,5-dimethoxy-4-nitrobenzene (CAS 6961-68-8) is a chemical compound with molecular formula C8H8INO4 and molecular weight 308.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2,5-dimethoxy-4-nitrobenzene
Also Known As: 1-iodo-2,5-dimethoxy-4-nitrobenzene, 1-iodo-2,5-dimethoxy-4-nitro-benzene, RefChem:231023
| Molecular Formula | C8H8INO4 |
|---|---|
| Molecular Weight | 308.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.9498 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 6961-68-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1[N+](=O)[O-])OC)I |
| InChIKey | ZKEPXTRWLFMRSE-UHFFFAOYSA-N |
Product Overview
1-Iodo-2,5-dimethoxy-4-nitrobenzene (CAS 6961-68-8), with molecular formula C8H8INO4 and molecular weight 308.95 g/mol. IUPAC: 1-iodo-2,5-dimethoxy-4-nitrobenzene.
Chemical Property Profile of 1-Iodo-2,5-dimethoxy-4-nitrobenzene
Property Insights of 1-Iodo-2,5-dimethoxy-4-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Iodo-2,5-dimethoxy-4-nitrobenzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Iodo-2,5-dimethoxy-4-nitrobenzene. Following Lipinski's Rule of Five, 1-Iodo-2,5-dimethoxy-4-nitrobenzene 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 1-Iodo-2,5-dimethoxy-4-nitrobenzene?
The CAS number of 1-Iodo-2,5-dimethoxy-4-nitrobenzene is 6961-68-8.
What is the molecular formula of 1-Iodo-2,5-dimethoxy-4-nitrobenzene?
The molecular formula of 1-Iodo-2,5-dimethoxy-4-nitrobenzene is C8H8INO4.
What is the molecular weight of 1-Iodo-2,5-dimethoxy-4-nitrobenzene?
The molecular weight of 1-Iodo-2,5-dimethoxy-4-nitrobenzene is 308.95 g/mol.
Where can I buy 1-Iodo-2,5-dimethoxy-4-nitrobenzene?
You can request a quote for 1-Iodo-2,5-dimethoxy-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-Iodo-2,5-dimethoxy-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-2,5-dimethoxy-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.