Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 69891-46-9) is a chemical compound with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-, RefChem:338596
| Molecular Formula | C13H18ClNO4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.09244 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 69891-46-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C(C)Cl)C(=O)OC |
| InChIKey | GKEPXHWWIASKQE-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 69891-46-9), with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol. IUPAC: dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has 1 hydrogen bond donor(s) and 5 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 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 69891-46-9.
What is the molecular formula of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C13H18ClNO4.
What is the molecular weight of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is 287.09 g/mol.
Where can I buy Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for Dimethyl 4-(1-chloroethyl)-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 Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-(1-chloroethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.