ChemDiv1_005819
TL;DR: ChemDiv1_005819 (CAS 333307-76-9) is a chemical compound with molecular formula C19H22N4O2S and molecular weight 370.15 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-(1-morpholin-4-ylethylidene)-5-propylpyrazol-3-one
Also Known As: ChemDiv1_005819, BAS 02101709, 2-(2-Benzothiazolyl)-2,4-dihydro-4-[1-(4-morpholinyl)ethylidene]-5-propyl-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylethylidene)-5-propylpyrazol-3-one, (4E)-2-(1,3-BENZOTHIAZOL-2-YL)-4-[1-(MORPHOLIN-4-YL)ETHYLIDENE]-5-PROPYLPYRAZOL-3-ONE
| Molecular Formula | C19H22N4O2S |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.4052 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14636 |
| Heavy Atoms | 26 |
| Complexity | 862.8311 |
Chemical Identifiers
| CAS Number | 333307-76-9 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1=C(C)N2CCOCC2)C3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv1_005819 (CAS 333307-76-9), with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylethylidene)-5-propylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_005819
Property Insights of ChemDiv1_005819
The XLogP value of 3.4052 indicates that ChemDiv1_005819 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.03 Ų, ChemDiv1_005819 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005819 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_005819?
The CAS number of ChemDiv1_005819 is 333307-76-9.
What is the molecular formula of ChemDiv1_005819?
The molecular formula of ChemDiv1_005819 is C19H22N4O2S.
What is the molecular weight of ChemDiv1_005819?
The molecular weight of ChemDiv1_005819 is 370.15 g/mol.
Where can I buy ChemDiv1_005819?
You can request a quote for ChemDiv1_005819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005819?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.