BAS 00127579
TL;DR: BAS 00127579 (CAS 21835-71-2) is a chemical compound with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: BAS 00127579, BIM-0010082.P001, 3,5-diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, AI-559/34388007, diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C21H28N2O4 |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 3.1136 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.2049 |
| Heavy Atoms | 27 |
| Complexity | 735.8763 |
Chemical Identifiers
| CAS Number | 21835-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)N(C)C)C(=O)OCC)C)C |
Product Overview
BAS 00127579 (CAS 21835-71-2), with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol. IUPAC: diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 00127579
Property Insights of BAS 00127579
The XLogP value of 3.1136 indicates that BAS 00127579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00127579. Following Lipinski's Rule of Five, BAS 00127579 has 1 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 BAS 00127579?
The CAS number of BAS 00127579 is 21835-71-2.
What is the molecular formula of BAS 00127579?
The molecular formula of BAS 00127579 is C21H28N2O4.
What is the molecular weight of BAS 00127579?
The molecular weight of BAS 00127579 is 372.20 g/mol.
Where can I buy BAS 00127579?
You can request a quote for BAS 00127579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00127579?
Yes, KEHONG BIO provides custom synthesis services for BAS 00127579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.