BAS 00404535
TL;DR: BAS 00404535 (CAS 30131-53-4) is a chemical compound with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-benzyl-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 00404535, diethyl 1-benzyl-4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, diethyl 1-benzyl-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, 3,5-diethyl 1-benzyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-Dimethyl-1,4-dihydro-4-(4-nitrophenyl)-1-benzylpyridine-3,5-dicarboxylic acid diethyl ester
| Molecular Formula | C26H28N2O6 |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 4.8684 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.19473 |
| Heavy Atoms | 34 |
| Complexity | 1093.6406 |
Chemical Identifiers
| CAS Number | 30131-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)CC3=CC=CC=C3)C |
Product Overview
BAS 00404535 (CAS 30131-53-4), with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol. IUPAC: diethyl 1-benzyl-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 00404535
Property Insights of BAS 00404535
The XLogP value of 4.8684 indicates that BAS 00404535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00404535. Following Lipinski's Rule of Five, BAS 00404535 has 0 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 BAS 00404535?
The CAS number of BAS 00404535 is 30131-53-4.
What is the molecular formula of BAS 00404535?
The molecular formula of BAS 00404535 is C26H28N2O6.
What is the molecular weight of BAS 00404535?
The molecular weight of BAS 00404535 is 464.19 g/mol.
Where can I buy BAS 00404535?
You can request a quote for BAS 00404535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00404535?
Yes, KEHONG BIO provides custom synthesis services for BAS 00404535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.