AJ-077/14442012
TL;DR: AJ-077/14442012 (CAS 42972-34-9) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(4-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
Also Known As: AJ-077/14442012, 1,4-Dihydro-4-(4-methoxyphenyl)-1,2,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester, 1,4-Dihydro-4- -1,2,6-trimethyl-3,5-pyridinedicarboxylicaciddiethylester, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-methoxyphenyl)-1,2,6-trimethyl-, diethyl ester, diethyl 4-(4-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 42972-34-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C)C)C |
| InChIKey | NHVAYSIVSNXLGM-UHFFFAOYSA-N |
Product Overview
AJ-077/14442012 (CAS 42972-34-9), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: diethyl 4-(4-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of AJ-077/14442012
Property Insights of AJ-077/14442012
The XLogP value of 3.4 indicates that AJ-077/14442012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-077/14442012. Following Lipinski's Rule of Five, AJ-077/14442012 has 0 hydrogen bond donor(s) and 6 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 AJ-077/14442012?
The CAS number of AJ-077/14442012 is 42972-34-9.
What is the molecular formula of AJ-077/14442012?
The molecular formula of AJ-077/14442012 is C21H27NO5.
What is the molecular weight of AJ-077/14442012?
The molecular weight of AJ-077/14442012 is 373.19 g/mol.
Where can I buy AJ-077/14442012?
You can request a quote for AJ-077/14442012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-077/14442012?
Yes, KEHONG BIO provides custom synthesis services for AJ-077/14442012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.