2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride
TL;DR: 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride (CAS 72279-04-0) is a chemical compound with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride
Also Known As: 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride, 1-Butanamine, N,N-dimethyl-4-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-, hydrochloride, N,N-Dimethyl-4-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-1-butanamine hydrochloride, 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine hydrochloride, 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine,hydrochloride
| Molecular Formula | C21H30ClNO2 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 4.6228 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 363.1965 |
| Heavy Atoms | 25 |
| Complexity | 616.35 |
Chemical Identifiers
| CAS Number | 72279-04-0 |
|---|---|
| SMILES | CN(C)CCCCOC1=CC=CC=C1CCC2=CC(=CC=C2)OC.Cl |
Product Overview
2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride (CAS 72279-04-0), with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol. IUPAC: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride.
Chemical Property Profile of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride
Property Insights of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride
The XLogP value of 4.6228 indicates that 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride has 0 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 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride?
The CAS number of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride is 72279-04-0.
What is the molecular formula of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride?
The molecular formula of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride is C21H30ClNO2.
What is the molecular weight of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride?
The molecular weight of 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride is 363.20 g/mol.
Where can I buy 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride?
You can request a quote for 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl 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-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Dimethylaminobutoxy)-3'-methoxybibenzyl hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.