2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride
TL;DR: 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride (CAS 72279-35-7) is a chemical compound with molecular formula C20H27ClFNO and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride
Also Known As: 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride, 1-Butanamine, 4-(2-(2-(4-fluorophenyl)ethyl)phenoxy)-N,N-dimethyl-, hydrochloride, 1-butanamine,4-(2-(2-n,n-dimethyl-,hydrochloride, 4-(2-(2-(4-Fluorophenyl)ethyl)phenoxy)-N,N-dimethyl-1-butanamine hydrochloride, 1-Butanamine,4-(2-(2- -N,N-dimethyl-,hydrochloride
| Molecular Formula | C20H27ClFNO |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 4.7533 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.1765 |
| Heavy Atoms | 24 |
| Complexity | 586.44763 |
Chemical Identifiers
| CAS Number | 72279-35-7 |
|---|---|
| SMILES | CN(C)CCCCOC1=CC=CC=C1CCC2=CC=C(C=C2)F.Cl |
Product Overview
2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride (CAS 72279-35-7), with molecular formula C20H27ClFNO and molecular weight 351.18 g/mol. IUPAC: 4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride.
Chemical Property Profile of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride
Property Insights of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride
The XLogP value of 4.7533 indicates that 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride has 0 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 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride?
The CAS number of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride is 72279-35-7.
What is the molecular formula of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride?
The molecular formula of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride is C20H27ClFNO.
What is the molecular weight of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride?
The molecular weight of 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride is 351.18 g/mol.
Where can I buy 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride?
You can request a quote for 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Dimethylaminobutoxy)-4'-fluorobibenzyl hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.