BAS 01996565
TL;DR: BAS 01996565 (CAS 333442-71-0) is a chemical compound with molecular formula C20H21ClN2O4 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
Also Known As: BAS 01996565, BIM-0031584.P001, 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone, 1-(5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone, 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C20H21ClN2O4 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.3532 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.119 |
| Heavy Atoms | 27 |
| Complexity | 882.0505 |
Chemical Identifiers
| CAS Number | 333442-71-0 |
|---|---|
| SMILES | CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CC3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 01996565 (CAS 333442-71-0), with molecular formula C20H21ClN2O4 and molecular weight 388.12 g/mol. IUPAC: 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of BAS 01996565
Property Insights of BAS 01996565
The XLogP value of 3.3532 indicates that BAS 01996565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01996565. Following Lipinski's Rule of Five, BAS 01996565 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 01996565?
The CAS number of BAS 01996565 is 333442-71-0.
What is the molecular formula of BAS 01996565?
The molecular formula of BAS 01996565 is C20H21ClN2O4.
What is the molecular weight of BAS 01996565?
The molecular weight of BAS 01996565 is 388.12 g/mol.
Where can I buy BAS 01996565?
You can request a quote for BAS 01996565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01996565?
Yes, KEHONG BIO provides custom synthesis services for BAS 01996565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.