Ati-22-107
TL;DR: Ati-22-107 (CAS 681816-57-9) is a chemical compound with molecular formula C31H32Cl2N4O8 and molecular weight 658.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(((2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)acetyl)amino)ethoxy)methyl)-1,4-dihydro-6-methyl-, dimethyl ester, 3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-((2-(2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)acetyl)amino)ethoxy)methyl)-1,4-dihydro-6-methyl-, 3,5-dimethyl ester, 2-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester, dimethyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:916447
| Molecular Formula | C31H32Cl2N4O8 |
|---|---|
| Molecular Weight | 658.16 g/mol |
| LogP | 3.3802 |
| Topological Polar Surface Area | 153.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 658.1597 |
| Heavy Atoms | 45 |
| Complexity | 1586.914 |
Chemical Identifiers
| CAS Number | 681816-57-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)COCCNC(=O)COC2=C(C=C(C=C2)C3=NNC(=O)CC3)Cl)C(=O)OC)C4=CC=CC=C4Cl)C(=O)OC |
Product Overview
Ati-22-107 (CAS 681816-57-9), with molecular formula C31H32Cl2N4O8 and molecular weight 658.16 g/mol. IUPAC: dimethyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Ati-22-107
Property Insights of Ati-22-107
The XLogP value of 3.3802 indicates that Ati-22-107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.65 Ų indicates high polarity, suggesting Ati-22-107 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ati-22-107 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ati-22-107?
The CAS number of Ati-22-107 is 681816-57-9.
What is the molecular formula of Ati-22-107?
The molecular formula of Ati-22-107 is C31H32Cl2N4O8.
What is the molecular weight of Ati-22-107?
The molecular weight of Ati-22-107 is 658.16 g/mol.
Where can I buy Ati-22-107?
You can request a quote for Ati-22-107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ati-22-107?
Yes, KEHONG BIO provides custom synthesis services for Ati-22-107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.