![4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one structure](/static/products/330/330470-99-0.png)
4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
TL;DR: 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one (CAS 330470-99-0) is a chemical compound with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
Also Known As: (4E)-4-{[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene}-1-(3,4-dimethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C20H17ClN4OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.10456 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.08115 |
| Heavy Atoms | 27 |
| Complexity | 1248.831 |
Chemical Identifiers
| CAS Number | 330470-99-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=NC3=NC4=C(S3)C=C(C=C4)Cl)C |
Product Overview
4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one (CAS 330470-99-0), with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol. IUPAC: 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
Property Insights of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
The XLogP value of 5.10456 indicates that 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one?
The CAS number of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one is 330470-99-0.
What is the molecular formula of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one?
The molecular formula of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one is C20H17ClN4OS.
What is the molecular weight of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one?
The molecular weight of 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one is 396.08 g/mol.
Where can I buy 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one?
You can request a quote for 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-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 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.