![2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide structure](/static/products/6429/642985-49-7.webp)
2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide
TL;DR: 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide (CAS 642985-49-7) is a chemical compound with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide
Also Known As: CBKinase1_004602, CBKinase1_017002, AN-329/41562352, 2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide, BRD-K39600073-001-01-7
| Molecular Formula | C17H16BrN3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 2.74842 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.00958 |
| Heavy Atoms | 25 |
| Complexity | 826.5354 |
Chemical Identifiers
| CAS Number | 642985-49-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N |
Product Overview
2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide (CAS 642985-49-7), with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol. IUPAC: 2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide.
Chemical Property Profile of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide
Property Insights of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide
The XLogP value of 2.74842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide. Following Lipinski's Rule of Five, 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 4 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 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide?
The CAS number of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide is 642985-49-7.
What is the molecular formula of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide?
The molecular formula of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide is C17H16BrN3O3S.
What is the molecular weight of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide?
The molecular weight of 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide is 421.01 g/mol.
Where can I buy 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide?
You can request a quote for 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(4-Bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.