N-(benzylcarbamothioyl)-4-bromobenzamide
TL;DR: N-(benzylcarbamothioyl)-4-bromobenzamide (CAS 100915-25-1) is a chemical compound with molecular formula C15H13BrN2OS and molecular weight 347.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-4-bromobenzamide
Also Known As: N-benzyl-N'-(4-bromobenzoyl)thiourea, N-(benzylcarbamothioyl)-4-bromobenzamide, (4-bromophenyl)-N-{[benzylamino]thioxomethyl}carboxamide
| Molecular Formula | C15H13BrN2OS |
|---|---|
| Molecular Weight | 347.99 g/mol |
| LogP | 3.2536 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.9932 |
| Heavy Atoms | 20 |
| Complexity | 599.0304 |
Chemical Identifiers
| CAS Number | 100915-25-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
N-(benzylcarbamothioyl)-4-bromobenzamide (CAS 100915-25-1), with molecular formula C15H13BrN2OS and molecular weight 347.99 g/mol. IUPAC: N-(benzylcarbamothioyl)-4-bromobenzamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-4-bromobenzamide
Property Insights of N-(benzylcarbamothioyl)-4-bromobenzamide
The XLogP value of 3.2536 indicates that N-(benzylcarbamothioyl)-4-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(benzylcarbamothioyl)-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-4-bromobenzamide has 2 hydrogen bond donor(s) and 2 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 N-(benzylcarbamothioyl)-4-bromobenzamide?
The CAS number of N-(benzylcarbamothioyl)-4-bromobenzamide is 100915-25-1.
What is the molecular formula of N-(benzylcarbamothioyl)-4-bromobenzamide?
The molecular formula of N-(benzylcarbamothioyl)-4-bromobenzamide is C15H13BrN2OS.
What is the molecular weight of N-(benzylcarbamothioyl)-4-bromobenzamide?
The molecular weight of N-(benzylcarbamothioyl)-4-bromobenzamide is 347.99 g/mol.
Where can I buy N-(benzylcarbamothioyl)-4-bromobenzamide?
You can request a quote for N-(benzylcarbamothioyl)-4-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.