![{[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile structure](/static/products/488/488825-53-2.png)
{[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile
TL;DR: {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile (CAS 488825-53-2) is a chemical compound with molecular formula C17H11BrFN3S and molecular weight 386.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile
Also Known As: 2-(((3-bromobenzyl)thio)((3-fluorophenyl)amino)methylene)malononitrile, {[(3-bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile, 2-[(3-bromophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile
| Molecular Formula | C17H11BrFN3S |
|---|---|
| Molecular Weight | 386.98 g/mol |
| LogP | 5.19226 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.9841 |
| Heavy Atoms | 23 |
| Complexity | 805.07355 |
Chemical Identifiers
| CAS Number | 488825-53-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CSC(=C(C#N)C#N)NC2=CC(=CC=C2)F |
Product Overview
{[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile (CAS 488825-53-2), with molecular formula C17H11BrFN3S and molecular weight 386.98 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl-(3-fluoroanilino)methylidene]propanedinitrile.
Chemical Property Profile of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile
Property Insights of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile
The XLogP value of 5.19226 indicates that {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile?
The CAS number of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile is 488825-53-2.
What is the molecular formula of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile?
The molecular formula of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile is C17H11BrFN3S.
What is the molecular weight of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile?
The molecular weight of {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile is 386.98 g/mol.
Where can I buy {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile?
You can request a quote for {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[(3-Bromobenzyl)sulfanyl][(3-fluorophenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.