AO-022/43454322
TL;DR: AO-022/43454322 (CAS 1173685-89-6) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate
Also Known As: AO-022/43454322, methyl 4-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate, methyl 4-{[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate, (S)-methyl 4-(3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)benzoate, methyl 4-{[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
Technical Specifications
| Molecular Formula | C20H20N4O4 |
| Molecular Weight | 380.14847 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.14847 Da |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
| SMILES | CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | KKYOFJJAYUMMKK-KRWDZBQOSA-N |
Chemical Property Profile of AO-022/43454322
Property Insights of AO-022/43454322
The XLogP value of 3.7 indicates that AO-022/43454322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454322. Following Lipinski's Rule of Five, AO-022/43454322 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AO-022/43454322?
The CAS number of AO-022/43454322 is 1173685-89-6.
What is the molecular formula of AO-022/43454322?
The molecular formula of AO-022/43454322 is C20H20N4O4.
What is the molecular weight of AO-022/43454322?
The molecular weight of AO-022/43454322 is 380.14847 g/mol.
Where can I buy AO-022/43454322?
You can request a quote for AO-022/43454322 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-022/43454322?
Yes, CoreyChem provides custom synthesis services for AO-022/43454322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.