BAS 14594130
TL;DR: BAS 14594130 (CAS 879043-28-4) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(6-methyl-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl)propanoate
Also Known As: BAS 14594130, ethyl 3-(6-methyl-3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoate, ethyl 3-(6-methyl-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl)propanoate, ethyl 3-(6-methyl-3,4-dioxo-2-phenyl-7-hydro-3-pyrazolino[3,4-b]pyridin-5-yl)p ropanoate, ethyl 3-(4-hydroxy-6-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoate
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 1.81122 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 1028.1412 |
Chemical Identifiers
| CAS Number | 879043-28-4 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=CC=CC=C3)C |
Product Overview
BAS 14594130 (CAS 879043-28-4), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: ethyl 3-(6-methyl-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl)propanoate.
Chemical Property Profile of BAS 14594130
Property Insights of BAS 14594130
The XLogP value of 1.81122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 14594130. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14594130. Following Lipinski's Rule of Five, BAS 14594130 has 2 hydrogen bond donor(s) and 4 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 14594130?
The CAS number of BAS 14594130 is 879043-28-4.
What is the molecular formula of BAS 14594130?
The molecular formula of BAS 14594130 is C18H19N3O4.
What is the molecular weight of BAS 14594130?
The molecular weight of BAS 14594130 is 341.14 g/mol.
Where can I buy BAS 14594130?
You can request a quote for BAS 14594130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14594130?
Yes, KEHONG BIO provides custom synthesis services for BAS 14594130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.