AO-022/42486954
TL;DR: AO-022/42486954 (CAS 638138-96-2) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(thiophen-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: AO-022/42486954, F1765-0054, 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(2-thienylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(thiophen-2-yl)methyl]-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(thiophen-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 3.222 |
| Topological Polar Surface Area | 108.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1351.427 |
Chemical Identifiers
| CAS Number | 638138-96-2 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C(=O)N1CC5=CC=CS5 |
Product Overview
AO-022/42486954 (CAS 638138-96-2), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(thiophen-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
Chemical Property Profile of AO-022/42486954
Property Insights of AO-022/42486954
The XLogP value of 3.222 indicates that AO-022/42486954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42486954. Following Lipinski's Rule of Five, AO-022/42486954 has 1 hydrogen bond donor(s) and 8 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-022/42486954?
The CAS number of AO-022/42486954 is 638138-96-2.
What is the molecular formula of AO-022/42486954?
The molecular formula of AO-022/42486954 is C23H19N3O5S.
What is the molecular weight of AO-022/42486954?
The molecular weight of AO-022/42486954 is 449.10 g/mol.
Where can I buy AO-022/42486954?
You can request a quote for AO-022/42486954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42486954?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42486954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.