2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate
TL;DR: 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate (CAS 153850-06-7) is a chemical compound with molecular formula C13H12I3N3O5 and molecular weight 670.7911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-amino-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoate
Also Known As: 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate, Carbamoylmethyl 3,5-diacetamido-2,4,6-triiodo-benzoate
Technical Specifications
| Molecular Formula | C13H12I3N3O5 |
| Molecular Weight | 670.7911 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 670.7911 Da |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)N)I)NC(=O)C)I |
| InChIKey | OTAOZPQJJOPPTI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate
Property Insights of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate?
The CAS number of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate is 153850-06-7.
What is the molecular formula of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate?
The molecular formula of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate is C13H12I3N3O5.
What is the molecular weight of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate?
The molecular weight of 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate is 670.7911 g/mol.
Where can I buy 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate?
You can request a quote for 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Amino-2-oxoethyl 3,5-diacetamido-2,4,6-triiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.