![(4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one structure](/static/products/371/371940-02-2.png)
(4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one (CAS 371940-02-2) is a chemical compound with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 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-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-5-(((4-chlorophenyl)thio)methyl)-4-(((3-hydroxypropyl)imino)methyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(3-hydroxypropyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H19ClN4O2S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 4.5223 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.06378 |
| Heavy Atoms | 30 |
| Complexity | 1195.019 |
Chemical Identifiers
| CAS Number | 371940-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)CSC4=CC=C(C=C4)Cl)C=NCCCO |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one (CAS 371940-02-2), with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one
The XLogP value of 4.5223 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one has 2 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-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one is 371940-02-2.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one is C21H19ClN4O2S2.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one is 458.06 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]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-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(3-hydroxypropylamino)methylidene]pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.