Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-
TL;DR: Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- (CAS 17816-11-4) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylaniline
Also Known As: 4-Dimethylamino-4'-isothiocyanostilbene, 4-Dimethylamino-4-isothiocyanatostilbene, 4-dimethylamino-4'-isothiocyanatostilbene, Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-, Isothiocyanic acid, p-(p-(dimethylamino)styryl)phenyl ester
| Molecular Formula | C17H16N2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10342 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 17816-11-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N=C=S |
| InChIKey | AELFAHXWAPNOLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- (CAS 17816-11-4), with molecular formula C17H16N2S and molecular weight 280.10 g/mol. IUPAC: 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylaniline.
Chemical Property Profile of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-
Property Insights of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-
The XLogP value of 6.0 indicates that Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-?
The CAS number of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- is 17816-11-4.
What is the molecular formula of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-?
The molecular formula of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- is C17H16N2S.
What is the molecular weight of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-?
The molecular weight of Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- is 280.10 g/mol.
Where can I buy Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-?
You can request a quote for Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-(2-(4-isothiocyanatophenyl)ethenyl)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.