ChemDiv1_021998
TL;DR: ChemDiv1_021998 (CAS 205243-15-8) is a chemical compound with molecular formula C27H23N5O4 and molecular weight 481.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_021998, 4,4'-[(2-nitrophenyl)methanediyl]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol), 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one, 4,4 -(2-Nitrobenzylidene)bis(1-phenyl-3-methyl-1H-pyrazol-5-ol), 4,4'-((2-nitrophenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
| Molecular Formula | C27H23N5O4 |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 4.34984 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.17502 |
| Heavy Atoms | 36 |
| Complexity | 1579.1572 |
Chemical Identifiers
| CAS Number | 205243-15-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_021998 (CAS 205243-15-8), with molecular formula C27H23N5O4 and molecular weight 481.18 g/mol. IUPAC: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_021998
Property Insights of ChemDiv1_021998
The XLogP value of 4.34984 indicates that ChemDiv1_021998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021998. Following Lipinski's Rule of Five, ChemDiv1_021998 has 2 hydrogen bond donor(s) and 4 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 ChemDiv1_021998?
The CAS number of ChemDiv1_021998 is 205243-15-8.
What is the molecular formula of ChemDiv1_021998?
The molecular formula of ChemDiv1_021998 is C27H23N5O4.
What is the molecular weight of ChemDiv1_021998?
The molecular weight of ChemDiv1_021998 is 481.18 g/mol.
Where can I buy ChemDiv1_021998?
You can request a quote for ChemDiv1_021998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021998?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.