dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 69891-54-9) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyri, Dimethyl 2,6-dimethyl-4-[1-(thiocyanato)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:338489
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 69891-54-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C(C)SC#N)C(=O)OC |
| InChIKey | NMOHAMWFNUPQOK-UHFFFAOYSA-N |
Product Overview
dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 69891-54-9), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate is 69891-54-9.
What is the molecular formula of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate is C14H18N2O4S.
What is the molecular weight of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate is 310.10 g/mol.
Where can I buy dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-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 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2,6-dimethyl-4-(1-thiocyanatoethyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.