![(4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one structure](/static/products/3537/353773-54-3.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one (CAS 353773-54-3) is a chemical compound with molecular formula C23H31N5OS and molecular weight 425.22 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-(cyclohexylamino)propyliminomethyl]-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one, 2-benzothiazol-2-yl-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propyl-pyrazol-3-one, (4{Z})-2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylene)-5-propyl-2,4-dihydro-3{H}-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C23H31N5OS |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 4.4591 |
| Topological Polar Surface Area | 75.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.22495 |
| Heavy Atoms | 30 |
| Complexity | 1008.4718 |
Chemical Identifiers
| CAS Number | 353773-54-3 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCCNC4CCCCC4 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one (CAS 353773-54-3), with molecular formula C23H31N5OS and molecular weight 425.22 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one
The XLogP value of 4.4591 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one 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 (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one is 353773-54-3.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one is C23H31N5OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one is 425.22 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-propylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.