![4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione structure](/static/products/313/313376-46-4.png)
4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
TL;DR: 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione (CAS 313376-46-4) is a chemical compound with molecular formula C17H14ClN3S and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4E)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4Z)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (Z)-4-(((4-chlorophenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazole-5(4H)-thione, 4-{[(4-chlorophenyl)amino]methylene}-3-methyl-1-phenyl-1,2-diazoline-5-thione
| Molecular Formula | C17H14ClN3S |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.0597 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 313376-46-4 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)Cl |
| InChIKey | GXRPFTYTWHIEPC-UHFFFAOYSA-N |
Product Overview
4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione (CAS 313376-46-4), with molecular formula C17H14ClN3S and molecular weight 327.06 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
Property Insights of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
The XLogP value of 4.6 indicates that 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione has 1 hydrogen bond donor(s) and 3 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 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione?
The CAS number of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione is 313376-46-4.
What is the molecular formula of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione?
The molecular formula of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione is C17H14ClN3S.
What is the molecular weight of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione?
The molecular weight of 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione is 327.06 g/mol.
Where can I buy 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione?
You can request a quote for 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.