RefChem:1066023
TL;DR: RefChem:1066023 (CAS 102106-31-0) is a chemical compound with molecular formula C27H28N2O6S and molecular weight 508.1668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4-(methylthio)phenyl)-3-butenyl ester, 3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Technical Specifications
| Molecular Formula | C27H28N2O6S |
| Molecular Weight | 508.1668 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 508.1668 Da |
| Heavy Atoms | 36 |
| Complexity | 914.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/C2=CC=C(C=C2)SC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | ZOUAHPQAIBNYAK-VMPITWQZSA-N |
Chemical Property Profile of RefChem:1066023
Property Insights of RefChem:1066023
The XLogP value of 5.6 indicates that RefChem:1066023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066023. Following Lipinski's Rule of Five, RefChem:1066023 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1066023?
The CAS number of RefChem:1066023 is 102106-31-0.
What is the molecular formula of RefChem:1066023?
The molecular formula of RefChem:1066023 is C27H28N2O6S.
What is the molecular weight of RefChem:1066023?
The molecular weight of RefChem:1066023 is 508.1668 g/mol.
Where can I buy RefChem:1066023?
You can request a quote for RefChem:1066023 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066023?
Yes, CoreyChem provides custom synthesis services for RefChem:1066023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.