N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide
TL;DR: N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide (CAS 302913-87-7) is a chemical compound with molecular formula C25H39BrCl3N3OS and molecular weight 613.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide
Also Known As: N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide, N-(1-{[(3-bromoanilino)carbothioyl]amino}-2,2,2-trichloroethyl)hexadecanamide, N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide, N-[1-[(3-bromophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]hexadecanamide, 658-448-3
| Molecular Formula | C25H39BrCl3N3OS |
|---|---|
| Molecular Weight | 613.11 g/mol |
| LogP | 9.0293 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 613.10626 |
| Heavy Atoms | 34 |
| Complexity | 718.8914 |
Chemical Identifiers
| CAS Number | 302913-87-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)Br |
Product Overview
N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide (CAS 302913-87-7), with molecular formula C25H39BrCl3N3OS and molecular weight 613.11 g/mol. IUPAC: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide.
Chemical Property Profile of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide
Property Insights of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide
The XLogP value of 9.0293 indicates that N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide 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-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide?
The CAS number of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide is 302913-87-7.
What is the molecular formula of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide?
The molecular formula of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide is C25H39BrCl3N3OS.
What is the molecular weight of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide?
The molecular weight of N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide is 613.11 g/mol.
Where can I buy N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide?
You can request a quote for N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(((3-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.