BAS 11416823
TL;DR: BAS 11416823 (CAS 775292-85-8) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-6-yl)acetate
Also Known As: BAS 11416823, ethyl (3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-6-yl)acetate, ethyl (4-hydroxy-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl)acetate, ethyl 2-(3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-6-yl)acetate, ethyl 2-(3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-6-yl)acetate
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 775292-85-8 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=O)C2=C(N1)NN(C2=O)C3=CC=CC=C3 |
| InChIKey | NZSFZAOBVWTWIK-UHFFFAOYSA-N |
Product Overview
BAS 11416823 (CAS 775292-85-8), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: ethyl 2-(3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-6-yl)acetate.
Chemical Property Profile of BAS 11416823
Property Insights of BAS 11416823
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11416823. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11416823. Following Lipinski's Rule of Five, BAS 11416823 has 2 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 BAS 11416823?
The CAS number of BAS 11416823 is 775292-85-8.
What is the molecular formula of BAS 11416823?
The molecular formula of BAS 11416823 is C16H15N3O4.
What is the molecular weight of BAS 11416823?
The molecular weight of BAS 11416823 is 313.11 g/mol.
Where can I buy BAS 11416823?
You can request a quote for BAS 11416823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11416823?
Yes, KEHONG BIO provides custom synthesis services for BAS 11416823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.