Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester
TL;DR: Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester (CAS 6132-41-8) is a chemical compound with molecular formula C9H9I2NO2 and molecular weight 416.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3,5-diiodobenzoate
Also Known As: ethyl 4-amino-3,5-diiodobenzoate, ethyl 4-amino-3,5-diiodo-benzoate, ethyl 3,5-diiodo-4-aminobenzoate, 5235AE, 3,5-Diiodo-4-aminobenzoic acid ethyl ester
| Molecular Formula | C9H9I2NO2 |
|---|---|
| Molecular Weight | 416.87 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.87228 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 6132-41-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)I)N)I |
| InChIKey | IFLWBYIITJOICR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester (CAS 6132-41-8), with molecular formula C9H9I2NO2 and molecular weight 416.87 g/mol. IUPAC: ethyl 4-amino-3,5-diiodobenzoate.
Chemical Property Profile of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester
Property Insights of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester?
The CAS number of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester is 6132-41-8.
What is the molecular formula of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester?
The molecular formula of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester is C9H9I2NO2.
What is the molecular weight of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester?
The molecular weight of Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester is 416.87 g/mol.
Where can I buy Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester?
You can request a quote for Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.