BAS 00513628
TL;DR: BAS 00513628 (CAS 879085-06-0) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00513628, (E)-4-((3-ethoxy-4-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, F1018-1546, 4-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 879085-06-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)O |
| InChIKey | SAPFULPWTCHBRF-UHFFFAOYSA-N |
Product Overview
BAS 00513628 (CAS 879085-06-0), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00513628
Property Insights of BAS 00513628
The XLogP value of 3.5 indicates that BAS 00513628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00513628. Following Lipinski's Rule of Five, BAS 00513628 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 00513628?
The CAS number of BAS 00513628 is 879085-06-0.
What is the molecular formula of BAS 00513628?
The molecular formula of BAS 00513628 is C20H21N3O3.
What is the molecular weight of BAS 00513628?
The molecular weight of BAS 00513628 is 351.16 g/mol.
Where can I buy BAS 00513628?
You can request a quote for BAS 00513628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513628?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.