4-fluorobenzalaniline
TL;DR: 4-fluorobenzalaniline (CAS 5676-93-7) is a chemical compound with molecular formula C17H12N4OS3 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: 4-fluorobenzalaniline, N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide, N-(2-Cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C17H12N4OS3 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 4.26577 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.01733 |
| Heavy Atoms | 25 |
| Complexity | 988.87274 |
Chemical Identifiers
| CAS Number | 5676-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NC3=CC=CC=C3C#N |
Product Overview
4-fluorobenzalaniline (CAS 5676-93-7), with molecular formula C17H12N4OS3 and molecular weight 384.02 g/mol. IUPAC: N-(2-cyanophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of 4-fluorobenzalaniline
Property Insights of 4-fluorobenzalaniline
The XLogP value of 4.26577 indicates that 4-fluorobenzalaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluorobenzalaniline. Following Lipinski's Rule of Five, 4-fluorobenzalaniline has 1 hydrogen bond donor(s) and 6 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 4-fluorobenzalaniline?
The CAS number of 4-fluorobenzalaniline is 5676-93-7.
What is the molecular formula of 4-fluorobenzalaniline?
The molecular formula of 4-fluorobenzalaniline is C17H12N4OS3.
What is the molecular weight of 4-fluorobenzalaniline?
The molecular weight of 4-fluorobenzalaniline is 384.02 g/mol.
Where can I buy 4-fluorobenzalaniline?
You can request a quote for 4-fluorobenzalaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorobenzalaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorobenzalaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.