9L-517S
TL;DR: 9L-517S (CAS 5521-49-3) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: 9L-517S, methyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, BAS 00633852, methyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, AB00087146-01
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 1.6453 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 650.5194 |
Chemical Identifiers
| CAS Number | 5521-49-3 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
9L-517S (CAS 5521-49-3), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: methyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of 9L-517S
Property Insights of 9L-517S
The XLogP value of 1.6453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9L-517S. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 9L-517S. Following Lipinski's Rule of Five, 9L-517S 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-517S?
The CAS number of 9L-517S is 5521-49-3.
What is the molecular formula of 9L-517S?
The molecular formula of 9L-517S is C14H14N2O5.
What is the molecular weight of 9L-517S?
The molecular weight of 9L-517S is 290.09 g/mol.
Where can I buy 9L-517S?
You can request a quote for 9L-517S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-517S?
Yes, KEHONG BIO provides custom synthesis services for 9L-517S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.