C17H19BrFNO.ClH
TL;DR: C17H19BrFNO.ClH (CAS 96122-68-8) is a chemical compound with molecular formula C17H20BrClFNO and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl-dimethylazanium chloride
Also Known As: Ethanamine, 2-((4-bromophenyl)(4-fluorophenyl)methoxy)-N,N-dimethyl-, hydrochloride, 2-((4-Bromophenyl)(4-fluorophenyl)methoxy)-N,N-dimethylethanamine hydrochloride, 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl-dimethylazanium chloride, 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl-dimethylazanium,chloride, Ethanamine,2-((4-bromophenyl)(4-fluorophenyl)methoxy)-N,N-dimethyl-,hydrochloride
| Molecular Formula | C17H20BrClFNO |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.04007 |
| Heavy Atoms | 22 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 96122-68-8 |
|---|---|
| SMILES | C[NH+](C)CCOC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Br.[Cl-] |
| InChIKey | WUWJLOTXNNOWDA-UHFFFAOYSA-N |
Product Overview
C17H19BrFNO.ClH (CAS 96122-68-8), with molecular formula C17H20BrClFNO and molecular weight 387.04 g/mol. IUPAC: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of C17H19BrFNO.ClH
Property Insights of C17H19BrFNO.ClH
The XLogP value of -0.16 indicates that C17H19BrFNO.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, C17H19BrFNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H19BrFNO.ClH has 1 hydrogen bond donor(s) and 3 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 C17H19BrFNO.ClH?
The CAS number of C17H19BrFNO.ClH is 96122-68-8.
What is the molecular formula of C17H19BrFNO.ClH?
The molecular formula of C17H19BrFNO.ClH is C17H20BrClFNO.
What is the molecular weight of C17H19BrFNO.ClH?
The molecular weight of C17H19BrFNO.ClH is 387.04 g/mol.
Where can I buy C17H19BrFNO.ClH?
You can request a quote for C17H19BrFNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H19BrFNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C17H19BrFNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.