BAS 00915941
TL;DR: BAS 00915941 (CAS 329066-22-0) is a chemical compound with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00915941, methyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate, methyl 7-(4-chlorophenyl)-4-{3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H21ClN2O5 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 4.7828 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.1139 |
| Heavy Atoms | 32 |
| Complexity | 1183.1306 |
Chemical Identifiers
| CAS Number | 329066-22-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
BAS 00915941 (CAS 329066-22-0), with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol. IUPAC: methyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00915941
Property Insights of BAS 00915941
The XLogP value of 4.7828 indicates that BAS 00915941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915941. Following Lipinski's Rule of Five, BAS 00915941 has 1 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 00915941?
The CAS number of BAS 00915941 is 329066-22-0.
What is the molecular formula of BAS 00915941?
The molecular formula of BAS 00915941 is C24H21ClN2O5.
What is the molecular weight of BAS 00915941?
The molecular weight of BAS 00915941 is 452.11 g/mol.
Where can I buy BAS 00915941?
You can request a quote for BAS 00915941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915941?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.