BIM-0035505.P001
TL;DR: BIM-0035505.P001 (CAS 371952-63-5) is a chemical compound with molecular formula C22H22N4OS and molecular weight 390.15 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-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: BIM-0035505.P001, 2-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-phenylethylamino)methylidene]-5-propylpyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-((phenethylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
| Molecular Formula | C22H22N4OS |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 4.3894 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.15143 |
| Heavy Atoms | 28 |
| Complexity | 1121.22 |
Chemical Identifiers
| CAS Number | 371952-63-5 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCC4=CC=CC=C4 |
Product Overview
BIM-0035505.P001 (CAS 371952-63-5), with molecular formula C22H22N4OS and molecular weight 390.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0035505.P001
Property Insights of BIM-0035505.P001
The XLogP value of 4.3894 indicates that BIM-0035505.P001 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 BIM-0035505.P001. Following Lipinski's Rule of Five, BIM-0035505.P001 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 BIM-0035505.P001?
The CAS number of BIM-0035505.P001 is 371952-63-5.
What is the molecular formula of BIM-0035505.P001?
The molecular formula of BIM-0035505.P001 is C22H22N4OS.
What is the molecular weight of BIM-0035505.P001?
The molecular weight of BIM-0035505.P001 is 390.15 g/mol.
Where can I buy BIM-0035505.P001?
You can request a quote for BIM-0035505.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0035505.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0035505.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.