N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide
TL;DR: N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide (CAS 403830-56-8) is a chemical compound with molecular formula C16H16BrN3OS and molecular weight 377.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(4-bromophenyl)carbamothioylamino]methyl]phenyl]acetamide
Also Known As: N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide, N-[4-({[(4-bromophenyl)carbamothioyl]amino}methyl)phenyl]acetamide, F1008-0227, N-[4-[[(4-bromophenyl)carbamothioylamino]methyl]phenyl]acetamide
| Molecular Formula | C16H16BrN3OS |
|---|---|
| Molecular Weight | 377.02 g/mol |
| LogP | 3.8941 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.01974 |
| Heavy Atoms | 22 |
| Complexity | 656.09607 |
Chemical Identifiers
| CAS Number | 403830-56-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)Br |
Product Overview
N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide (CAS 403830-56-8), with molecular formula C16H16BrN3OS and molecular weight 377.02 g/mol. IUPAC: N-[4-[[(4-bromophenyl)carbamothioylamino]methyl]phenyl]acetamide.
Chemical Property Profile of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide
Property Insights of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide
The XLogP value of 3.8941 indicates that N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide has 3 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-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide?
The CAS number of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide is 403830-56-8.
What is the molecular formula of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide?
The molecular formula of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide is C16H16BrN3OS.
What is the molecular weight of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide?
The molecular weight of N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide is 377.02 g/mol.
Where can I buy N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide?
You can request a quote for N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-((3-(4-bromophenyl)thioureido)methyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.