2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride
TL;DR: 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride (CAS 150321-87-2) is a chemical compound with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine;hydrochloride
Also Known As: N-BENZYL-L-ALANINOL, 2-methyl-4-phenyl-pyridine,picrate, 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride, 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine;hydrochloride, I14-32787
| Molecular Formula | C17H15ClN2OS |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 5.3219 |
| Topological Polar Surface Area | 28.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05936 |
| Heavy Atoms | 22 |
| Complexity | 833.49115 |
Chemical Identifiers
| CAS Number | 150321-87-2 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C=C(O2)C3=CC=C(C=C3)N=C=S.Cl |
Product Overview
2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride (CAS 150321-87-2), with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol. IUPAC: 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine;hydrochloride.
Chemical Property Profile of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride
Property Insights of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride
The XLogP value of 5.3219 indicates that 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.74 Ų, 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride has 0 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 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride?
The CAS number of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride is 150321-87-2.
What is the molecular formula of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride?
The molecular formula of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride is C17H15ClN2OS.
What is the molecular weight of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride?
The molecular weight of 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride is 330.06 g/mol.
Where can I buy 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride?
You can request a quote for 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.