![2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide structure](/static/products/6429/642945-91-3.webp)
2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide
TL;DR: 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide (CAS 642945-91-3) is a chemical compound with molecular formula C15H10BrN3OS and molecular weight 358.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide
Also Known As: 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide, N-(2-bromobenzoyl)-N'-(3-cyanophenyl)thiourea, AN-329/41572492, 2-bromo-N-{[(3-cyanophenyl)amino]carbonothioyl}benzamide
| Molecular Formula | C15H10BrN3OS |
|---|---|
| Molecular Weight | 358.97 g/mol |
| LogP | 3.44758 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.9728 |
| Heavy Atoms | 21 |
| Complexity | 739.6937 |
Chemical Identifiers
| CAS Number | 642945-91-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N)Br |
Product Overview
2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide (CAS 642945-91-3), with molecular formula C15H10BrN3OS and molecular weight 358.97 g/mol. IUPAC: 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide
Property Insights of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide
The XLogP value of 3.44758 indicates that 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide has 2 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-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide?
The CAS number of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide is 642945-91-3.
What is the molecular formula of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide?
The molecular formula of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide is C15H10BrN3OS.
What is the molecular weight of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide?
The molecular weight of 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide is 358.97 g/mol.
Where can I buy 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide?
You can request a quote for 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[(3-cyanophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.