ChemDiv1_010055
TL;DR: ChemDiv1_010055 (CAS 313272-82-1) is a chemical compound with molecular formula C30H28N4O6 and molecular weight 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_010055, 3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, bis(prop-2-enyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, diallyl 2,6-dimethyl-4-(3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, diprop-2-en-1-yl 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C30H28N4O6 |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 5.1407 |
| Topological Polar Surface Area | 125.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 540.20087 |
| Heavy Atoms | 40 |
| Complexity | 1505.0848 |
Chemical Identifiers
| CAS Number | 313272-82-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCC=C |
Product Overview
ChemDiv1_010055 (CAS 313272-82-1), with molecular formula C30H28N4O6 and molecular weight 540.20 g/mol. IUPAC: bis(prop-2-enyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_010055
Property Insights of ChemDiv1_010055
The XLogP value of 5.1407 indicates that ChemDiv1_010055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010055. Following Lipinski's Rule of Five, ChemDiv1_010055 has 1 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 ChemDiv1_010055?
The CAS number of ChemDiv1_010055 is 313272-82-1.
What is the molecular formula of ChemDiv1_010055?
The molecular formula of ChemDiv1_010055 is C30H28N4O6.
What is the molecular weight of ChemDiv1_010055?
The molecular weight of ChemDiv1_010055 is 540.20 g/mol.
Where can I buy ChemDiv1_010055?
You can request a quote for ChemDiv1_010055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010055?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.