AP-906/42850385
TL;DR: AP-906/42850385 (CAS 690641-43-1) is a chemical compound with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one
Also Known As: AP-906/42850385, AB00675592-01, 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)(3,4,5-trimethoxyphenyl)methyl]-4H-pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridinylamino)(3,4,5-trimethoxyphenyl)methyl]-4H-pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one
| Molecular Formula | C21H22N2O7 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.46 |
| Topological Polar Surface Area | 123.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.1427 |
| Heavy Atoms | 30 |
| Complexity | 1041.6903 |
Chemical Identifiers
| CAS Number | 690641-43-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3 |
Product Overview
AP-906/42850385 (CAS 690641-43-1), with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol. IUPAC: 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one.
Chemical Property Profile of AP-906/42850385
Property Insights of AP-906/42850385
The XLogP value of 2.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/42850385. The TPSA of 123.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/42850385. Following Lipinski's Rule of Five, AP-906/42850385 has 3 hydrogen bond donor(s) and 9 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 AP-906/42850385?
The CAS number of AP-906/42850385 is 690641-43-1.
What is the molecular formula of AP-906/42850385?
The molecular formula of AP-906/42850385 is C21H22N2O7.
What is the molecular weight of AP-906/42850385?
The molecular weight of AP-906/42850385 is 414.14 g/mol.
Where can I buy AP-906/42850385?
You can request a quote for AP-906/42850385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/42850385?
Yes, KEHONG BIO provides custom synthesis services for AP-906/42850385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.