![2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide structure](/static/products/6429/642945-88-8.webp)
2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide
TL;DR: 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide (CAS 642945-88-8) is a chemical compound with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide
Also Known As: 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide, AN-329/41572491, 2-bromo-N-{[2-(phenylcarbamoyl)phenyl]carbamothioyl}benzamide, N-({[2-(anilinocarbonyl)phenyl]amino}carbonothioyl)-2-bromobenzamide, 2-({[(2-bromobenzoyl)amino]carbothioyl}amino)-N-phenylbenzamide
| Molecular Formula | C21H16BrN3O2S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 4.8282 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.01465 |
| Heavy Atoms | 28 |
| Complexity | 1024.924 |
Chemical Identifiers
| CAS Number | 642945-88-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3Br |
Product Overview
2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide (CAS 642945-88-8), with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol. IUPAC: 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide.
Chemical Property Profile of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide
Property Insights of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide
The XLogP value of 4.8282 indicates that 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide. Following Lipinski's Rule of Five, 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide has 3 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 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The CAS number of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide is 642945-88-8.
What is the molecular formula of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The molecular formula of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide is C21H16BrN3O2S.
What is the molecular weight of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide?
The molecular weight of 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide is 453.01 g/mol.
Where can I buy 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide?
You can request a quote for 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-bromobenzoyl)carbamothioylamino]-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.