BAS 00439895
TL;DR: BAS 00439895 (CAS 5136-15-2) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00439895, ethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, J2.143.461B, ETHYL 2,7,7-TRIMETHYL-5-OXO-4-(PYRIDIN-3-YL)-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE, ethyl 2,7,7-trimethyl-5-oxo-4-(3-pyridyl)-1,4,6,7,8-pentahydroquinoline-3-carb oxylate
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 3.2487 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 775.3908 |
Chemical Identifiers
| CAS Number | 5136-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CN=CC=C3)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00439895 (CAS 5136-15-2), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00439895
Property Insights of BAS 00439895
The XLogP value of 3.2487 indicates that BAS 00439895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00439895. Following Lipinski's Rule of Five, BAS 00439895 has 1 hydrogen bond donor(s) and 5 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 00439895?
The CAS number of BAS 00439895 is 5136-15-2.
What is the molecular formula of BAS 00439895?
The molecular formula of BAS 00439895 is C20H24N2O3.
What is the molecular weight of BAS 00439895?
The molecular weight of BAS 00439895 is 340.18 g/mol.
Where can I buy BAS 00439895?
You can request a quote for BAS 00439895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00439895?
Yes, KEHONG BIO provides custom synthesis services for BAS 00439895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.