9L-533S
TL;DR: 9L-533S (CAS 478261-59-5) is a chemical compound with molecular formula C15H15ClN2O5 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: 9L-533S, ethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, ethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, ethyl 4-(4-chloro-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C15H15ClN2O5 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.6888 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.06696 |
| Heavy Atoms | 23 |
| Complexity | 713.81885 |
Chemical Identifiers
| CAS Number | 478261-59-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C |
Product Overview
9L-533S (CAS 478261-59-5), with molecular formula C15H15ClN2O5 and molecular weight 338.07 g/mol. IUPAC: ethyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of 9L-533S
Property Insights of 9L-533S
The XLogP value of 2.6888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9L-533S. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 9L-533S. Following Lipinski's Rule of Five, 9L-533S 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 9L-533S?
The CAS number of 9L-533S is 478261-59-5.
What is the molecular formula of 9L-533S?
The molecular formula of 9L-533S is C15H15ClN2O5.
What is the molecular weight of 9L-533S?
The molecular weight of 9L-533S is 338.07 g/mol.
Where can I buy 9L-533S?
You can request a quote for 9L-533S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-533S?
Yes, KEHONG BIO provides custom synthesis services for 9L-533S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.