9L-718
TL;DR: 9L-718 (CAS 478261-85-7) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 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-pyrimidin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 9L-718, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(2-pyrimidinylsulfanyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyrimidin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(pyrimidin-2-ylsulfanyl)-1,4-dihydropyridine-3-carboxylate, ethyl4-(4-chlorophenyl)-5-formyl-2-methyl-6-(pyrimidin-2-ylsulfanyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.8567 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 942.9281 |
Chemical Identifiers
| CAS Number | 478261-85-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)SC3=NC=CC=N3)C |
Product Overview
9L-718 (CAS 478261-85-7), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyrimidin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 9L-718
Property Insights of 9L-718
The XLogP value of 3.8567 indicates that 9L-718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 9L-718. Following Lipinski's Rule of Five, 9L-718 has 1 hydrogen bond donor(s) and 7 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-718?
The CAS number of 9L-718 is 478261-85-7.
What is the molecular formula of 9L-718?
The molecular formula of 9L-718 is C20H18ClN3O3S.
What is the molecular weight of 9L-718?
The molecular weight of 9L-718 is 415.08 g/mol.
Where can I buy 9L-718?
You can request a quote for 9L-718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-718?
Yes, KEHONG BIO provides custom synthesis services for 9L-718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.