J3.042.944C
TL;DR: J3.042.944C (CAS 21881-53-8) is a chemical compound with molecular formula C19H21ClN2O6 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: J3.042.944C, diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-Dimethyl-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester, 3,5-DIETHYL 4-(2-CHLORO-5-NITROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, 3,5-Diethyl 4-(2-chloro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
| Molecular Formula | C19H21ClN2O6 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.6092 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10883 |
| Heavy Atoms | 28 |
| Complexity | 850.4101 |
Chemical Identifiers
| CAS Number | 21881-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OCC)C)C |
Product Overview
J3.042.944C (CAS 21881-53-8), with molecular formula C19H21ClN2O6 and molecular weight 408.11 g/mol. IUPAC: diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of J3.042.944C
Property Insights of J3.042.944C
The XLogP value of 3.6092 indicates that J3.042.944C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.042.944C. Following Lipinski's Rule of Five, J3.042.944C 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 J3.042.944C?
The CAS number of J3.042.944C is 21881-53-8.
What is the molecular formula of J3.042.944C?
The molecular formula of J3.042.944C is C19H21ClN2O6.
What is the molecular weight of J3.042.944C?
The molecular weight of J3.042.944C is 408.11 g/mol.
Where can I buy J3.042.944C?
You can request a quote for J3.042.944C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.042.944C?
Yes, KEHONG BIO provides custom synthesis services for J3.042.944C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.