N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide
TL;DR: N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide (CAS 303063-24-3) is a chemical compound with molecular formula C16H14BrCl2N3OS and molecular weight 444.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-dichloroethyl]benzamide
Also Known As: N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide, N-(1-{[(4-bromoanilino)carbothioyl]amino}-2,2-dichloroethyl)benzamide, N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-dichloroethyl]benzamide, N-[1-[(4-bromophenyl)thiocarbamoylamino]-2,2-dichloro-ethyl]benzamide, 656-962-2
| Molecular Formula | C16H14BrCl2N3OS |
|---|---|
| Molecular Weight | 444.94 g/mol |
| LogP | 4.2953 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.9418 |
| Heavy Atoms | 24 |
| Complexity | 698.2285 |
Chemical Identifiers
| CAS Number | 303063-24-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Br |
Product Overview
N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide (CAS 303063-24-3), with molecular formula C16H14BrCl2N3OS and molecular weight 444.94 g/mol. IUPAC: N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-dichloroethyl]benzamide.
Chemical Property Profile of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide
Property Insights of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide
The XLogP value of 4.2953 indicates that N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide 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-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide 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-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide?
The CAS number of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide is 303063-24-3.
What is the molecular formula of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide?
The molecular formula of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide is C16H14BrCl2N3OS.
What is the molecular weight of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide?
The molecular weight of N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide is 444.94 g/mol.
Where can I buy N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide?
You can request a quote for N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2-dichloroethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.