BAS 00598925
TL;DR: BAS 00598925 (CAS 331818-13-4) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methoxy-5-nitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00598925, 4-({5-nitro-2-methoxyanilino}methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(2-methoxy-5-nitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-[(2-methoxy-5-nitroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(2-methoxy-5-nitroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 3.14142 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 1035.0898 |
Chemical Identifiers
| CAS Number | 331818-13-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=C(C=CC(=C3)[N+](=O)[O-])OC |
Product Overview
BAS 00598925 (CAS 331818-13-4), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: 4-[(2-methoxy-5-nitrophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00598925
Property Insights of BAS 00598925
The XLogP value of 3.14142 indicates that BAS 00598925 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00598925. Following Lipinski's Rule of Five, BAS 00598925 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 00598925?
The CAS number of BAS 00598925 is 331818-13-4.
What is the molecular formula of BAS 00598925?
The molecular formula of BAS 00598925 is C18H16N4O4.
What is the molecular weight of BAS 00598925?
The molecular weight of BAS 00598925 is 352.12 g/mol.
Where can I buy BAS 00598925?
You can request a quote for BAS 00598925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598925?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.