Methyl 4-amino-3,5-diiodobenzoate
TL;DR: Methyl 4-amino-3,5-diiodobenzoate (CAS 131755-87-8) is a chemical compound with molecular formula C8H7I2NO2 and molecular weight 402.85663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-amino-3,5-diiodobenzoate
Also Known As: methyl 4-amino-3,5-diiodobenzoate, 4-AMINO-3,5-DIIODOBENZOIC ACID METHYL ESTER, Methyl 4-amino-3,5-diiodo-benzoate, methyl4-amino-3,5-diiodobenzoate, methyl-3,5-diiodo-4-amino benzoate
Technical Specifications
| Molecular Formula | C8H7I2NO2 |
| Molecular Weight | 402.85663 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.85663 Da |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)I)N)I |
| InChIKey | WIVDOGOGDWWOFF-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-amino-3,5-diiodobenzoate
Property Insights of Methyl 4-amino-3,5-diiodobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3,5-diiodobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-amino-3,5-diiodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3,5-diiodobenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-amino-3,5-diiodobenzoate?
The CAS number of Methyl 4-amino-3,5-diiodobenzoate is 131755-87-8.
What is the molecular formula of Methyl 4-amino-3,5-diiodobenzoate?
The molecular formula of Methyl 4-amino-3,5-diiodobenzoate is C8H7I2NO2.
What is the molecular weight of Methyl 4-amino-3,5-diiodobenzoate?
The molecular weight of Methyl 4-amino-3,5-diiodobenzoate is 402.85663 g/mol.
Where can I buy Methyl 4-amino-3,5-diiodobenzoate?
You can request a quote for Methyl 4-amino-3,5-diiodobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-amino-3,5-diiodobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-amino-3,5-diiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.