ChemDiv1_002702
TL;DR: ChemDiv1_002702 (CAS 360789-85-1) is a chemical compound with molecular formula C30H32N4O8 and molecular weight 576.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_002702, BIM-0035882.P001, bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-BIS(2-METHOXYETHYL) 2,6-DIMETHYL-4-[3-(3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, bis(2-methoxyethyl) 2,6-dimethyl-4-(3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C30H32N4O8 |
|---|---|
| Molecular Weight | 576.22 g/mol |
| LogP | 4.0615 |
| Topological Polar Surface Area | 144.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 576.222 |
| Heavy Atoms | 42 |
| Complexity | 1483.0109 |
Chemical Identifiers
| CAS Number | 360789-85-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCCOC |
Product Overview
ChemDiv1_002702 (CAS 360789-85-1), with molecular formula C30H32N4O8 and molecular weight 576.22 g/mol. IUPAC: bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_002702
Property Insights of ChemDiv1_002702
The XLogP value of 4.0615 indicates that ChemDiv1_002702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.05 Ų indicates high polarity, suggesting ChemDiv1_002702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002702 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002702?
The CAS number of ChemDiv1_002702 is 360789-85-1.
What is the molecular formula of ChemDiv1_002702?
The molecular formula of ChemDiv1_002702 is C30H32N4O8.
What is the molecular weight of ChemDiv1_002702?
The molecular weight of ChemDiv1_002702 is 576.22 g/mol.
Where can I buy ChemDiv1_002702?
You can request a quote for ChemDiv1_002702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002702?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.