3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 163979-48-4) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-(oxolan-2-ylmethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, AQ-405/42300469, 3-methyl 5-(oxolan-2-yl)methyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-O-methyl 5-O-(oxolan-2-ylmethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-methyl 5-(tetrahydro-2-furanylmethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.47 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 838.95264 |
Chemical Identifiers
| CAS Number | 163979-48-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC(=CC=C3)Cl)C(=O)OC |
Product Overview
3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 163979-48-4), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: 3-O-methyl 5-O-(oxolan-2-ylmethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 3.47 indicates that 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 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 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 163979-48-4.
What is the molecular formula of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C21H24ClNO5.
What is the molecular weight of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 405.13 g/mol.
Where can I buy 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl 5-((tetrahydrofuran-2-yl)methyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.