Methyl 4-iodo-3-nitrobenzoate
TL;DR: Methyl 4-iodo-3-nitrobenzoate (CAS 89976-27-2) is a chemical compound with molecular formula C8H6INO4 and molecular weight 306.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-iodo-3-nitrobenzoate
Also Known As: methyl 4-iodo-3-nitrobenzoate, methyl 4-iodo-3-nitro-benzoate, methyl-4-iodo-3-nitrobenzoate, METHYL4-IODO-3-NITROBENZOATE, 4-Iodo-3-nitrobenzoic acid methyl ester
| Molecular Formula | C8H6INO4 |
|---|---|
| Molecular Weight | 306.93 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.93417 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 89976-27-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-] |
| InChIKey | SCMBIQRYVKITCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-iodo-3-nitrobenzoate (CAS 89976-27-2), with molecular formula C8H6INO4 and molecular weight 306.93 g/mol. IUPAC: methyl 4-iodo-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-iodo-3-nitrobenzoate
Property Insights of Methyl 4-iodo-3-nitrobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-iodo-3-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-iodo-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-iodo-3-nitrobenzoate 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 Methyl 4-iodo-3-nitrobenzoate?
The CAS number of Methyl 4-iodo-3-nitrobenzoate is 89976-27-2.
What is the molecular formula of Methyl 4-iodo-3-nitrobenzoate?
The molecular formula of Methyl 4-iodo-3-nitrobenzoate is C8H6INO4.
What is the molecular weight of Methyl 4-iodo-3-nitrobenzoate?
The molecular weight of Methyl 4-iodo-3-nitrobenzoate is 306.93 g/mol.
Where can I buy Methyl 4-iodo-3-nitrobenzoate?
You can request a quote for Methyl 4-iodo-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-iodo-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-iodo-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.