AO-022/42797492
TL;DR: AO-022/42797492 (CAS 758700-47-9) is a chemical compound with molecular formula C23H23ClN4O4 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
Also Known As: AO-022/42797492, methyl 2-amino-4-(4-chlorophenyl)-6-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate, methyl 2-amino-4-(4-chlorophenyl)-6-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate, methyl 6-(3-(1H-imidazol-1-yl)propyl)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate, methyl 2-amino-4-(4-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
| Molecular Formula | C23H23ClN4O4 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.14078 |
| Heavy Atoms | 32 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 758700-47-9 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)Cl)C(=O)N1CCCN4C=CN=C4 |
| InChIKey | OCXSJMOJNLTLHG-UHFFFAOYSA-N |
Product Overview
AO-022/42797492 (CAS 758700-47-9), with molecular formula C23H23ClN4O4 and molecular weight 454.14 g/mol. IUPAC: methyl 2-amino-4-(4-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
Chemical Property Profile of AO-022/42797492
Property Insights of AO-022/42797492
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42797492. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42797492. Following Lipinski's Rule of Five, AO-022/42797492 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
Frequently Asked Questions
What is the CAS number of AO-022/42797492?
The CAS number of AO-022/42797492 is 758700-47-9.
What is the molecular formula of AO-022/42797492?
The molecular formula of AO-022/42797492 is C23H23ClN4O4.
What is the molecular weight of AO-022/42797492?
The molecular weight of AO-022/42797492 is 454.14 g/mol.
Where can I buy AO-022/42797492?
You can request a quote for AO-022/42797492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42797492?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42797492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.