RefChem:1066018
TL;DR: RefChem:1066018 (CAS 102106-25-2) is a chemical compound with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[(E)-4-(4-cyanophenyl)but-3-enyl] 3-O-methyl 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)-, 4-(4-cyanophenyl)-3-butenyl methyl ester, 5-O-[(E)-4-(4-cyanophenyl)but-3-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066018
| Molecular Formula | C27H25N3O6 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.52098 |
| Topological Polar Surface Area | 131.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.17435 |
| Heavy Atoms | 36 |
| Complexity | 1315.7644 |
Chemical Identifiers
| CAS Number | 102106-25-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
RefChem:1066018 (CAS 102106-25-2), with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol. IUPAC: 5-O-[(E)-4-(4-cyanophenyl)but-3-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066018
Property Insights of RefChem:1066018
The XLogP value of 4.52098 indicates that RefChem:1066018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.56 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066018. Following Lipinski's Rule of Five, RefChem:1066018 has 1 hydrogen bond donor(s) and 8 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 RefChem:1066018?
The CAS number of RefChem:1066018 is 102106-25-2.
What is the molecular formula of RefChem:1066018?
The molecular formula of RefChem:1066018 is C27H25N3O6.
What is the molecular weight of RefChem:1066018?
The molecular weight of RefChem:1066018 is 487.17 g/mol.
Where can I buy RefChem:1066018?
You can request a quote for RefChem:1066018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.