ATI 2054
TL;DR: ATI 2054 (CAS 39181-43-6) is a chemical compound with molecular formula C28H33I2NO5 and molecular weight 717.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Also Known As: ATI 2054, 2,2-Dimethylpropyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)2-benzofuranacetate, J1.523.654J, ATI 2054, ATI2054, ATI-2054, 2,2-dimethylpropyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
| Molecular Formula | C28H33I2NO5 |
|---|---|
| Molecular Weight | 717.04 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 717.0448 |
| Heavy Atoms | 36 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 39181-43-6 |
|---|---|
| SMILES | CCN(CC)CCOC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CC(=O)OCC(C)(C)C)I |
| InChIKey | CUQPCYVDLBUFHA-UHFFFAOYSA-N |
Product Overview
ATI 2054 (CAS 39181-43-6), with molecular formula C28H33I2NO5 and molecular weight 717.04 g/mol. IUPAC: 2,2-dimethylpropyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate.
Chemical Property Profile of ATI 2054
Property Insights of ATI 2054
The XLogP value of 7.4 indicates that ATI 2054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ATI 2054. Following Lipinski's Rule of Five, ATI 2054 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ATI 2054?
The CAS number of ATI 2054 is 39181-43-6.
What is the molecular formula of ATI 2054?
The molecular formula of ATI 2054 is C28H33I2NO5.
What is the molecular weight of ATI 2054?
The molecular weight of ATI 2054 is 717.04 g/mol.
Where can I buy ATI 2054?
You can request a quote for ATI 2054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATI 2054?
Yes, KEHONG BIO provides custom synthesis services for ATI 2054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.