BAS 00081146
TL;DR: BAS 00081146 (CAS 1447968-74-2) is a chemical compound with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00081146, 4-[(4-ethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(4-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, A1088/0051095, (E)-4-((4-ethoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C20H21N3O2 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1634 |
| Heavy Atoms | 25 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 1447968-74-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
| InChIKey | NLJQYEMWUZQSPD-UHFFFAOYSA-N |
Product Overview
BAS 00081146 (CAS 1447968-74-2), with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol. IUPAC: 4-[(4-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00081146
Property Insights of BAS 00081146
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00081146. With a topological polar surface area (TPSA) of 45.1 Ų, BAS 00081146 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00081146 has 0 hydrogen bond donor(s) and 4 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 00081146?
The CAS number of BAS 00081146 is 1447968-74-2.
What is the molecular formula of BAS 00081146?
The molecular formula of BAS 00081146 is C20H21N3O2.
What is the molecular weight of BAS 00081146?
The molecular weight of BAS 00081146 is 335.16 g/mol.
Where can I buy BAS 00081146?
You can request a quote for BAS 00081146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00081146?
Yes, KEHONG BIO provides custom synthesis services for BAS 00081146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.