Methyl 4-iodo-2-methyl-3-nitrobenzoate
TL;DR: Methyl 4-iodo-2-methyl-3-nitrobenzoate (CAS 5613-32-1) is a chemical compound with molecular formula C24H23ClO5 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2-chlorobenzoyl)-3,4-dimethoxycyclohexa-2,4-dien-1-yl]-1-(4-methoxyphenyl)ethanone
Also Known As: Methyl 4-iodo-2-methyl-3-nitrobenzoate, BIM-0036313.P001, 2-[6-(2-chlorobenzoyl)-3,4-dimethoxycyclohexa-2,4-dien-1-yl]-1-(4-methoxyphenyl)ethanone, AB00090509-01, 2-[6-(2-chlorobenzoyl)-3,4-dimethoxy-1-cyclohexa-2,4-dienyl]-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C24H23ClO5 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 5.1109 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.1234 |
| Heavy Atoms | 30 |
| Complexity | 990.9108 |
Chemical Identifiers
| CAS Number | 5613-32-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC2C=C(C(=CC2C(=O)C3=CC=CC=C3Cl)OC)OC |
Product Overview
Methyl 4-iodo-2-methyl-3-nitrobenzoate (CAS 5613-32-1), with molecular formula C24H23ClO5 and molecular weight 426.12 g/mol. IUPAC: 2-[6-(2-chlorobenzoyl)-3,4-dimethoxycyclohexa-2,4-dien-1-yl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of Methyl 4-iodo-2-methyl-3-nitrobenzoate
Property Insights of Methyl 4-iodo-2-methyl-3-nitrobenzoate
The XLogP value of 5.1109 indicates that Methyl 4-iodo-2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-iodo-2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-iodo-2-methyl-3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-iodo-2-methyl-3-nitrobenzoate?
The CAS number of Methyl 4-iodo-2-methyl-3-nitrobenzoate is 5613-32-1.
What is the molecular formula of Methyl 4-iodo-2-methyl-3-nitrobenzoate?
The molecular formula of Methyl 4-iodo-2-methyl-3-nitrobenzoate is C24H23ClO5.
What is the molecular weight of Methyl 4-iodo-2-methyl-3-nitrobenzoate?
The molecular weight of Methyl 4-iodo-2-methyl-3-nitrobenzoate is 426.12 g/mol.
Where can I buy Methyl 4-iodo-2-methyl-3-nitrobenzoate?
You can request a quote for Methyl 4-iodo-2-methyl-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-2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-iodo-2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.