BIM-0039541.P001
TL;DR: BIM-0039541.P001 (CAS 337341-58-9) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 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-(3-hydroxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: BIM-0039541.P001, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.5291 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 873.8415 |
Chemical Identifiers
| CAS Number | 337341-58-9 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCCO |
Product Overview
BIM-0039541.P001 (CAS 337341-58-9), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0039541.P001
Property Insights of BIM-0039541.P001
The XLogP value of 2.5291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039541.P001. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039541.P001. Following Lipinski's Rule of Five, BIM-0039541.P001 has 2 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 BIM-0039541.P001?
The CAS number of BIM-0039541.P001 is 337341-58-9.
What is the molecular formula of BIM-0039541.P001?
The molecular formula of BIM-0039541.P001 is C17H20N4O2S.
What is the molecular weight of BIM-0039541.P001?
The molecular weight of BIM-0039541.P001 is 344.13 g/mol.
Where can I buy BIM-0039541.P001?
You can request a quote for BIM-0039541.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039541.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039541.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.