![(4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/4447/444761-36-8.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one (CAS 444761-36-8) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]pyrazol-3-one, (4E)-1-(1,3-BENZOTHIAZOL-2-YL)-3-(4-METHOXYPHENYL)-4-({[(OXOLAN-2-YL)METHYL]AMINO}METHYLIDENE)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]pyrazol-3-one, 2-benzothiazol-2-yl-5-(4-methoxyphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 4.0488 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1247.3954 |
Chemical Identifiers
| CAS Number | 444761-36-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=NC4=CC=CC=C4S3)C=NCC5CCCO5 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one (CAS 444761-36-8), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 4.0488 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one has 1 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 (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is 444761-36-8.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is C23H22N4O3S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one is 434.14 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-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)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.