8L-749
TL;DR: 8L-749 (CAS 339100-97-9) is a chemical compound with molecular formula C22H19Cl2NO3S and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 8L-749, ethyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)sulfanyl]-5-formyl-2-methyl-1,4-dihydro-3-pyridinecarboxylate, ethyl 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate, ethyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)sulfanyl]-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate, ethyl4-(4-chlorophenyl)-6-[(4-chlorophenyl)sulfanyl]-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H19Cl2NO3S |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 5.7201 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.04626 |
| Heavy Atoms | 29 |
| Complexity | 982.1219 |
Chemical Identifiers
| CAS Number | 339100-97-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)SC3=CC=C(C=C3)Cl)C |
Product Overview
8L-749 (CAS 339100-97-9), with molecular formula C22H19Cl2NO3S and molecular weight 447.05 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 8L-749
Property Insights of 8L-749
The XLogP value of 5.7201 indicates that 8L-749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 8L-749 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8L-749 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8L-749?
The CAS number of 8L-749 is 339100-97-9.
What is the molecular formula of 8L-749?
The molecular formula of 8L-749 is C22H19Cl2NO3S.
What is the molecular weight of 8L-749?
The molecular weight of 8L-749 is 447.05 g/mol.
Where can I buy 8L-749?
You can request a quote for 8L-749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-749?
Yes, KEHONG BIO provides custom synthesis services for 8L-749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.