RefChem:1066815
TL;DR: RefChem:1066815 (CAS 21165-57-1) is a chemical compound with molecular formula C17H18Cl2FN and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-3-(3-fluorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
Also Known As: 1-ethoxy-1-phenylpropanone, 1-(p-Chlorophenyl)-1-(m-fluorophenyl)-3-dimethylaminoprop-1-ene hydrochloride, 2-Propen-1-amine, 3-(p-chlorophenyl)-N,N-dimethyl-3-(m-fluorophenyl)-, hydrochloride, Propene, 1-(p-chlorophenyl)-3-dimethylamino-1-(m-fluorophenyl)-, hydrochloride, 3-(4-Chlorophenyl)-3-(3-fluorophenyl)-N,N-dimethylprop-2-en-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C17H18Cl2FN |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 4.89 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.08005 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 21165-57-1 |
|---|---|
| SMILES | CN(C)CC=C(C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)F.Cl |
| InChIKey | PNADBYWNNBOKJK-UHFFFAOYSA-N |
Product Overview
RefChem:1066815 (CAS 21165-57-1), with molecular formula C17H18Cl2FN and molecular weight 325.08 g/mol. IUPAC: 3-(4-chlorophenyl)-3-(3-fluorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1066815
Property Insights of RefChem:1066815
The XLogP value of 4.89 indicates that RefChem:1066815 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:1066815 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066815 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:1066815?
The CAS number of RefChem:1066815 is 21165-57-1.
What is the molecular formula of RefChem:1066815?
The molecular formula of RefChem:1066815 is C17H18Cl2FN.
What is the molecular weight of RefChem:1066815?
The molecular weight of RefChem:1066815 is 325.08 g/mol.
Where can I buy RefChem:1066815?
You can request a quote for RefChem:1066815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.