3-Amino-2,4,6-triiodobenzenepropanoic acid
TL;DR: 3-Amino-2,4,6-triiodobenzenepropanoic acid (CAS 1206-91-3) is a chemical compound with molecular formula C9H8I3NO2 and molecular weight 542.7689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-amino-2,4,6-triiodophenyl)propanoic acid
Also Known As: 3-(3-amino-2,4,6-triiodophenyl)propanoic acid, WIN 4837, 3-Amino-2,4,6-triiodohydrocinnamic acid, HYDROCINNAMIC ACID, 3-AMINO-2,4,6-TRIIODO-, 3-(3-AMINO-2,4,6-TRIIODOPHENYL)PROPIONIC ACID
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8I3NO2 |
| Molecular Weight | 542.7689 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 542.7689 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | C1=C(C(=C(C(=C1I)N)I)CCC(=O)O)I |
| InChIKey | BVDHMFVGWNGIQE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-2,4,6-triiodobenzenepropanoic acid
Property Insights of 3-Amino-2,4,6-triiodobenzenepropanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2,4,6-triiodobenzenepropanoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2,4,6-triiodobenzenepropanoic acid. Following Lipinski's Rule of Five, 3-Amino-2,4,6-triiodobenzenepropanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Amino-2,4,6-triiodobenzenepropanoic acid?
The CAS number of 3-Amino-2,4,6-triiodobenzenepropanoic acid is 1206-91-3.
What is the molecular formula of 3-Amino-2,4,6-triiodobenzenepropanoic acid?
The molecular formula of 3-Amino-2,4,6-triiodobenzenepropanoic acid is C9H8I3NO2.
What is the molecular weight of 3-Amino-2,4,6-triiodobenzenepropanoic acid?
The molecular weight of 3-Amino-2,4,6-triiodobenzenepropanoic acid is 542.7689 g/mol.
Where can I buy 3-Amino-2,4,6-triiodobenzenepropanoic acid?
You can request a quote for 3-Amino-2,4,6-triiodobenzenepropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2,4,6-triiodobenzenepropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2,4,6-triiodobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.