![(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3719/371937-76-7.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 371937-76-7) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 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-(3-methoxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, A3990/0170025, 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propylpyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.1832 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 889.694 |
Chemical Identifiers
| CAS Number | 371937-76-7 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCCOC |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 371937-76-7), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-methoxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.1832 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one has 1 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-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 371937-76-7.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is C18H22N4O2S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 358.15 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-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-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.