6-Chlor-hex-2-insaeure
TL;DR: 6-Chlor-hex-2-insaeure (CAS 89467-86-7) is a chemical compound with molecular formula C27H30N2O7 and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(2-ethoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: 6-Chlor-hex-2-insaeure, Diethyl 2,6-dimethyl-1-(ethoxyphenyl)-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-1-(ethoxyphenyl)-4-(2-nitrophenyl)-, diethyl ester, diethyl 1-(2-ethoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, Diethyl 1-(2-ethoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C27H30N2O7 |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 5.2715 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.2053 |
| Heavy Atoms | 36 |
| Complexity | 1190.1329 |
Chemical Identifiers
| CAS Number | 89467-86-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=C(C(C(=C2C)C(=O)OCC)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC)C |
Product Overview
6-Chlor-hex-2-insaeure (CAS 89467-86-7), with molecular formula C27H30N2O7 and molecular weight 494.21 g/mol. IUPAC: diethyl 1-(2-ethoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of 6-Chlor-hex-2-insaeure
Property Insights of 6-Chlor-hex-2-insaeure
The XLogP value of 5.2715 indicates that 6-Chlor-hex-2-insaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chlor-hex-2-insaeure. Following Lipinski's Rule of Five, 6-Chlor-hex-2-insaeure has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chlor-hex-2-insaeure?
The CAS number of 6-Chlor-hex-2-insaeure is 89467-86-7.
What is the molecular formula of 6-Chlor-hex-2-insaeure?
The molecular formula of 6-Chlor-hex-2-insaeure is C27H30N2O7.
What is the molecular weight of 6-Chlor-hex-2-insaeure?
The molecular weight of 6-Chlor-hex-2-insaeure is 494.21 g/mol.
Where can I buy 6-Chlor-hex-2-insaeure?
You can request a quote for 6-Chlor-hex-2-insaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlor-hex-2-insaeure?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlor-hex-2-insaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.