BAS 00598934
TL;DR: BAS 00598934 (CAS 302801-07-6) is a chemical compound with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-phenylpyrazol-3-one
Also Known As: BAS 00598934, 2-Pyrazolin-5-one, 4-(((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino)methylene)-3-methyl-1-phenyl-, (E)-1,5-dimethyl-4-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)-2-phenyl-1H-pyrazol-3(2H)-one, (E)-1,5-dimethyl-4-(((5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)amino)-2-phenyl-1H-pyrazol-3(2H)-one, 1,5-dimethyl-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]-2-phenylpyrazol-3-one
| Molecular Formula | C22H21N5O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16953 |
| Heavy Atoms | 29 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 302801-07-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
| InChIKey | VNMZMDMSIXNZSM-UHFFFAOYSA-N |
Product Overview
BAS 00598934 (CAS 302801-07-6), with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol. IUPAC: 1,5-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00598934
Property Insights of BAS 00598934
The XLogP value of 3.6 indicates that BAS 00598934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00598934. Following Lipinski's Rule of Five, BAS 00598934 has 1 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 00598934?
The CAS number of BAS 00598934 is 302801-07-6.
What is the molecular formula of BAS 00598934?
The molecular formula of BAS 00598934 is C22H21N5O2.
What is the molecular weight of BAS 00598934?
The molecular weight of BAS 00598934 is 387.17 g/mol.
Where can I buy BAS 00598934?
You can request a quote for BAS 00598934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598934?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.