BAS 02232486
TL;DR: BAS 02232486 (CAS 1164461-44-2) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methylcarbonimidoyl)-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 02232486, AJ-292/14922110, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-cyclopropylethanimidoyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-phenylpyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methylcarbonimidoyl)-5-phenyl-1H-pyrazol-3-one
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.4137 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1178.9492 |
Chemical Identifiers
| CAS Number | 1164461-44-2 |
|---|---|
| SMILES | CC(=NC1CC1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5 |
Product Overview
BAS 02232486 (CAS 1164461-44-2), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methylcarbonimidoyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 02232486
Property Insights of BAS 02232486
The XLogP value of 4.4137 indicates that BAS 02232486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02232486. Following Lipinski's Rule of Five, BAS 02232486 has 1 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 02232486?
The CAS number of BAS 02232486 is 1164461-44-2.
What is the molecular formula of BAS 02232486?
The molecular formula of BAS 02232486 is C21H18N4OS.
What is the molecular weight of BAS 02232486?
The molecular weight of BAS 02232486 is 374.12 g/mol.
Where can I buy BAS 02232486?
You can request a quote for BAS 02232486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02232486?
Yes, KEHONG BIO provides custom synthesis services for BAS 02232486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.