BAS 00078999
TL;DR: BAS 00078999 (CAS 300404-07-3) is a chemical compound with molecular formula C24H20N4O3 and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
Also Known As: BAS 00078999, AE-848/32727050, (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one, 4-[4-(dimethylamino)benzylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[(4-dimethylaminophenyl)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
| Molecular Formula | C24H20N4O3 |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.4953 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.15353 |
| Heavy Atoms | 31 |
| Complexity | 1181.7588 |
Chemical Identifiers
| CAS Number | 300404-07-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00078999 (CAS 300404-07-3), with molecular formula C24H20N4O3 and molecular weight 412.15 g/mol. IUPAC: (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00078999
Property Insights of BAS 00078999
The XLogP value of 4.4953 indicates that BAS 00078999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00078999. Following Lipinski's Rule of Five, BAS 00078999 has 0 hydrogen bond donor(s) and 5 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 00078999?
The CAS number of BAS 00078999 is 300404-07-3.
What is the molecular formula of BAS 00078999?
The molecular formula of BAS 00078999 is C24H20N4O3.
What is the molecular weight of BAS 00078999?
The molecular weight of BAS 00078999 is 412.15 g/mol.
Where can I buy BAS 00078999?
You can request a quote for BAS 00078999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00078999?
Yes, KEHONG BIO provides custom synthesis services for BAS 00078999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.