Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 312698-14-9) is a chemical compound with molecular formula C16H19NO4S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 02170204, BIM-0044016.P001, A2268/0095580, dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate, methyl 5-(methoxycarbonyl)-1,2,6-trimethyl-4-(3-thienyl)-1,4-dihydropyridine-3 -carboxylate
| Molecular Formula | C16H19NO4S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1035 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 312698-14-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CSC=C2)C(=O)OC |
| InChIKey | ILNVYBKYGIPXER-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 312698-14-9), with molecular formula C16H19NO4S and molecular weight 321.10 g/mol. IUPAC: dimethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 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 Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 312698-14-9.
What is the molecular formula of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is C16H19NO4S.
What is the molecular weight of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is 321.10 g/mol.
Where can I buy Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-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 Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2,6-trimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.