BAS 00485558
TL;DR: BAS 00485558 (CAS 299948-10-0) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00485558, BIM-0020377.P001, ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.871 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 763.6303 |
Chemical Identifiers
| CAS Number | 299948-10-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CCC2)C |
Product Overview
BAS 00485558 (CAS 299948-10-0), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00485558
Property Insights of BAS 00485558
The XLogP value of 3.871 indicates that BAS 00485558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00485558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00485558 has 1 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 00485558?
The CAS number of BAS 00485558 is 299948-10-0.
What is the molecular formula of BAS 00485558?
The molecular formula of BAS 00485558 is C19H20ClNO3.
What is the molecular weight of BAS 00485558?
The molecular weight of BAS 00485558 is 345.11 g/mol.
Where can I buy BAS 00485558?
You can request a quote for BAS 00485558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00485558?
Yes, KEHONG BIO provides custom synthesis services for BAS 00485558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.