Ati 2042
TL;DR: Ati 2042 (CAS 335148-45-3) is a chemical compound with molecular formula C27H31I2NO5 and molecular weight 703.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Also Known As: Celivarone, BUDIODARONE, ATI 2042, (S)-ATI 2042, J1.523.653A
| Molecular Formula | C27H31I2NO5 |
|---|---|
| Molecular Weight | 703.03 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 703.0292 |
| Heavy Atoms | 35 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 335148-45-3 |
|---|---|
| SMILES | CCC(C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I |
| InChIKey | ZXOSVKYCXLTVGS-UHFFFAOYSA-N |
Product Overview
Ati 2042 (CAS 335148-45-3), with molecular formula C27H31I2NO5 and molecular weight 703.03 g/mol. IUPAC: butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate.
Chemical Property Profile of Ati 2042
Property Insights of Ati 2042
The XLogP value of 7.0 indicates that Ati 2042 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 2042. Following Lipinski's Rule of Five, Ati 2042 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 2042?
The CAS number of Ati 2042 is 335148-45-3.
What is the molecular formula of Ati 2042?
The molecular formula of Ati 2042 is C27H31I2NO5.
What is the molecular weight of Ati 2042?
The molecular weight of Ati 2042 is 703.03 g/mol.
Where can I buy Ati 2042?
You can request a quote for Ati 2042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ati 2042?
Yes, KEHONG BIO provides custom synthesis services for Ati 2042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.