BAS 00888774
TL;DR: BAS 00888774 (CAS 5576-39-6) 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-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one
Also Known As: BAS 00888774, 4,4'-[(4-nitrophenyl)methylene]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one), 3-methyl-4-[(3-methyl-5-oxo-1-phenyl(2-pyrazolin-4-yl))(4-nitrophenyl)methyl]- 1-phenyl-2-pyrazolin-5-one, 4-[{4-nitrophenyl}(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one
| Molecular Formula | C27H23N5O4 |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 4.7562 |
| Topological Polar Surface Area | 108.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.17502 |
| Heavy Atoms | 36 |
| Complexity | 1307.181 |
Chemical Identifiers
| CAS Number | 5576-39-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
BAS 00888774 (CAS 5576-39-6), with molecular formula C27H23N5O4 and molecular weight 481.18 g/mol. IUPAC: 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00888774
Property Insights of BAS 00888774
The XLogP value of 4.7562 indicates that BAS 00888774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00888774. Following Lipinski's Rule of Five, BAS 00888774 has 0 hydrogen bond donor(s) and 6 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 00888774?
The CAS number of BAS 00888774 is 5576-39-6.
What is the molecular formula of BAS 00888774?
The molecular formula of BAS 00888774 is C27H23N5O4.
What is the molecular weight of BAS 00888774?
The molecular weight of BAS 00888774 is 481.18 g/mol.
Where can I buy BAS 00888774?
You can request a quote for BAS 00888774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00888774?
Yes, KEHONG BIO provides custom synthesis services for BAS 00888774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.