RefChem:1066704
TL;DR: RefChem:1066704 (CAS 21165-49-1) is a chemical compound with molecular formula C17H19ClFN and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
Also Known As: 1-ethoxy-1-phenylpropanone, 1-(m-Fluorophenyl)-1-phenyl-3-dimethylaminoprop-1-ene hydrochloride, Propene, 3-(dimethylamino)-1-(m-fluorophenyl)-1-phenyl-, hydrochloride, 2-Propen-1-amine, N,N-dimethyl-3-(m-fluorophenyl)-3-phenyl-, hydrochloride, 3-(3-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine hydrochloride
| Molecular Formula | C17H19ClFN |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.11902 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 21165-49-1 |
|---|---|
| SMILES | CN(C)CC=C(C1=CC=CC=C1)C2=CC(=CC=C2)F.Cl |
| InChIKey | NBBYUWQRZGTKFI-UHFFFAOYSA-N |
Product Overview
RefChem:1066704 (CAS 21165-49-1), with molecular formula C17H19ClFN and molecular weight 291.12 g/mol. IUPAC: 3-(3-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1066704
Property Insights of RefChem:1066704
The XLogP value of 4.24 indicates that RefChem:1066704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, RefChem:1066704 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066704 has 1 hydrogen bond donor(s) and 2 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 RefChem:1066704?
The CAS number of RefChem:1066704 is 21165-49-1.
What is the molecular formula of RefChem:1066704?
The molecular formula of RefChem:1066704 is C17H19ClFN.
What is the molecular weight of RefChem:1066704?
The molecular weight of RefChem:1066704 is 291.12 g/mol.
Where can I buy RefChem:1066704?
You can request a quote for RefChem:1066704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.