3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester (CAS 108914-36-9) is a chemical compound with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[(2,2-dimethyl-1,3-oxathiolan-5-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester, (2,2-Dimethyl-1,3-oxathiolan-5-yl)methyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 5-O-[(2,2-dimethyl-1,3-oxathiolan-5-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1049579
| Molecular Formula | C22H26N2O7S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 3.4139 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.14606 |
| Heavy Atoms | 32 |
| Complexity | 1015.2866 |
Chemical Identifiers
| CAS Number | 108914-36-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2CSC(O2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester (CAS 108914-36-9), with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol. IUPAC: 5-O-[(2,2-dimethyl-1,3-oxathiolan-5-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester
The XLogP value of 3.4139 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester has 1 hydrogen bond donor(s) and 9 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester is 108914-36-9.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester is C22H26N2O7S.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester is 462.15 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.