2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine
TL;DR: 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine (CAS 93125-79-2) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Dhp-itc, 2,6-Ddicpp, 1,4-Dihydro-2,6-dimethyl-4-(2-isothiocyanatophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester, 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine, dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 93125-79-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2N=C=S)C(=O)OC |
| InChIKey | KFNCOOZSSXYNNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine (CAS 93125-79-2), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine
Property Insights of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine
The XLogP value of 3.8 indicates that 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine. Following Lipinski's Rule of Five, 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine 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 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine?
The CAS number of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine is 93125-79-2.
What is the molecular formula of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine?
The molecular formula of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine is C18H18N2O4S.
What is the molecular weight of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine?
The molecular weight of 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine is 358.10 g/mol.
Where can I buy 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine?
You can request a quote for 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.