![3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA structure](/static/products/371/371124-69-5.png)
3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA
TL;DR: 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA (CAS 371124-69-5) is a chemical compound with molecular formula C21H21ClN6S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-[(3-chloro-4-methylanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-phenylthiourea
Also Known As: 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA, (1E)-1-[(3-chloro-4-methylanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-phenylthiourea, 1-{(Z)-[(3-chloro-4-methylphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-phenylthiourea
| Molecular Formula | C21H21ClN6S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 5.33226 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1237 |
| Heavy Atoms | 29 |
| Complexity | 1032.0419 |
Chemical Identifiers
| CAS Number | 371124-69-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C(=N\C(=S)NC2=CC=CC=C2)/NC3=NC(=CC(=N3)C)C)Cl |
Product Overview
3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA (CAS 371124-69-5), with molecular formula C21H21ClN6S and molecular weight 424.12 g/mol. IUPAC: (1E)-1-[(3-chloro-4-methylanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-phenylthiourea.
Chemical Property Profile of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA
Property Insights of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA
The XLogP value of 5.33226 indicates that 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA. Following Lipinski's Rule of Five, 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA?
The CAS number of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA is 371124-69-5.
What is the molecular formula of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA?
The molecular formula of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA is C21H21ClN6S.
What is the molecular weight of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA?
The molecular weight of 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA is 424.12 g/mol.
Where can I buy 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA?
You can request a quote for 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-[(3-CHLORO-4-METHYLPHENYL)AMINO][(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-1-PHENYLTHIOUREA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.