4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
TL;DR: 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline (CAS 7612-98-8) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline
Also Known As: DABITC, 4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate, Z-LEU-SER-OME, DABITC 100MG, 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 7612-98-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S |
| InChIKey | OSWZKAVBSQAVFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline (CAS 7612-98-8), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: 4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline.
Chemical Property Profile of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
Property Insights of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
The XLogP value of 5.7 indicates that 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline. Following Lipinski's Rule of Five, 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline?
The CAS number of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline is 7612-98-8.
What is the molecular formula of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline?
The molecular formula of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline is C15H14N4S.
What is the molecular weight of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline?
The molecular weight of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline is 282.09 g/mol.
Where can I buy 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline?
You can request a quote for 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.