BAS 00404498
TL;DR: BAS 00404498 (CAS 74979-81-0) is a chemical compound with molecular formula C25H25BrN2O6 and molecular weight 528.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 00404498, diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, diethyl 1-(4-bromophenyl)-4-{4-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C25H25BrN2O6 |
|---|---|
| Molecular Weight | 528.09 g/mol |
| LogP | 5.6353 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.0896 |
| Heavy Atoms | 34 |
| Complexity | 1126.897 |
Chemical Identifiers
| CAS Number | 74979-81-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=C(C=C3)Br)C |
Product Overview
BAS 00404498 (CAS 74979-81-0), with molecular formula C25H25BrN2O6 and molecular weight 528.09 g/mol. IUPAC: diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 00404498
Property Insights of BAS 00404498
The XLogP value of 5.6353 indicates that BAS 00404498 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 00404498. Following Lipinski's Rule of Five, BAS 00404498 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00404498?
The CAS number of BAS 00404498 is 74979-81-0.
What is the molecular formula of BAS 00404498?
The molecular formula of BAS 00404498 is C25H25BrN2O6.
What is the molecular weight of BAS 00404498?
The molecular weight of BAS 00404498 is 528.09 g/mol.
Where can I buy BAS 00404498?
You can request a quote for BAS 00404498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00404498?
Yes, KEHONG BIO provides custom synthesis services for BAS 00404498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.