BAS 00553195
TL;DR: BAS 00553195 (CAS 1321763-90-9) is a chemical compound with molecular formula C20H16Cl2N2O4 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
Also Known As: BAS 00553195, BIM-0006761.P001, [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] acetate, 4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl acetate, (E)-4-((1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)-2-methoxyphenyl acetate
| Molecular Formula | C20H16Cl2N2O4 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 4.7334 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0487 |
| Heavy Atoms | 28 |
| Complexity | 1030.861 |
Chemical Identifiers
| CAS Number | 1321763-90-9 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C)OC)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
BAS 00553195 (CAS 1321763-90-9), with molecular formula C20H16Cl2N2O4 and molecular weight 418.05 g/mol. IUPAC: [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of BAS 00553195
Property Insights of BAS 00553195
The XLogP value of 4.7334 indicates that BAS 00553195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553195. Following Lipinski's Rule of Five, BAS 00553195 has 0 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 00553195?
The CAS number of BAS 00553195 is 1321763-90-9.
What is the molecular formula of BAS 00553195?
The molecular formula of BAS 00553195 is C20H16Cl2N2O4.
What is the molecular weight of BAS 00553195?
The molecular weight of BAS 00553195 is 418.05 g/mol.
Where can I buy BAS 00553195?
You can request a quote for BAS 00553195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553195?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.