BAS 00689342
TL;DR: BAS 00689342 (CAS 166898-15-3) 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-hydroxy-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00689342, 4-{[(E)-(2-hydroxy-3-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, (E)-4-((2-hydroxy-3-nitrobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, Pyrazole-3(2H)-one, 4-(2-hydroxy-3-nitrobenzylidenamino)-1,5-dimethyl-2-phenyl-, 1,5-dimethyl-4-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-phenylpyrazol-3-one
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 166898-15-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])O |
| InChIKey | FWFFZVCINGDNQW-UHFFFAOYSA-N |
Product Overview
BAS 00689342 (CAS 166898-15-3), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: 4-[(2-hydroxy-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00689342
Property Insights of BAS 00689342
The XLogP value of 3.5 indicates that BAS 00689342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689342. Following Lipinski's Rule of Five, BAS 00689342 has 1 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 00689342?
The CAS number of BAS 00689342 is 166898-15-3.
What is the molecular formula of BAS 00689342?
The molecular formula of BAS 00689342 is C18H16N4O4.
What is the molecular weight of BAS 00689342?
The molecular weight of BAS 00689342 is 352.12 g/mol.
Where can I buy BAS 00689342?
You can request a quote for BAS 00689342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689342?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.