9L-726
TL;DR: 9L-726 (CAS 478261-90-4) is a chemical compound with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 9L-726, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(2-pyridinylsulfanyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(pyridin-2-ylsulfanyl)-1,4-dihydropyridine-3-carboxylate, ethyl4-(4-chlorophenyl)-5-formyl-2-methyl-6-(pyridin-2-ylsulfanyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C21H19ClN2O3S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 4.4617 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0805 |
| Heavy Atoms | 28 |
| Complexity | 939.8829 |
Chemical Identifiers
| CAS Number | 478261-90-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)SC3=CC=CC=N3)C |
Product Overview
9L-726 (CAS 478261-90-4), with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 9L-726
Property Insights of 9L-726
The XLogP value of 4.4617 indicates that 9L-726 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 9L-726. Following Lipinski's Rule of Five, 9L-726 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 9L-726?
The CAS number of 9L-726 is 478261-90-4.
What is the molecular formula of 9L-726?
The molecular formula of 9L-726 is C21H19ClN2O3S.
What is the molecular weight of 9L-726?
The molecular weight of 9L-726 is 414.08 g/mol.
Where can I buy 9L-726?
You can request a quote for 9L-726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-726?
Yes, KEHONG BIO provides custom synthesis services for 9L-726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.