dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
TL;DR: dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (CAS 423138-37-8) is a chemical compound with molecular formula C14H15NO4S and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
Also Known As: AE-848/42025361, dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate, dimethyl 1-methyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-methyl-4-(3-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate, dimethyl 1-methyl-4-thien-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C14H15NO4S |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.07217 |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 423138-37-8 |
|---|---|
| SMILES | CN1C=C(C(C(=C1)C(=O)OC)C2=CSC=C2)C(=O)OC |
| InChIKey | QFPUQVWIERXJIP-UHFFFAOYSA-N |
Product Overview
dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (CAS 423138-37-8), with molecular formula C14H15NO4S and molecular weight 293.07 g/mol. IUPAC: dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
Property Insights of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-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-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The CAS number of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is 423138-37-8.
What is the molecular formula of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is C14H15NO4S.
What is the molecular weight of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is 293.07 g/mol.
Where can I buy dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-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-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.