2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-
TL;DR: 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- (CAS 65655-58-5) is a chemical compound with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]but-2-enenitrile;hydrochloride
Also Known As: 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-, (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]but-2-enenitrile hydrochloride
| Molecular Formula | C23H29ClN2O4 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 3.62448 |
| Topological Polar Surface Area | 83.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.18158 |
| Heavy Atoms | 30 |
| Complexity | 847.27185 |
Chemical Identifiers
| CAS Number | 65655-58-5 |
|---|---|
| SMILES | C/C(=C/C#N)/C1=CC=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl |
Product Overview
2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- (CAS 65655-58-5), with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol. IUPAC: (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]but-2-enenitrile;hydrochloride.
Chemical Property Profile of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-
Property Insights of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-
The XLogP value of 3.62448 indicates that 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-. Following Lipinski's Rule of Five, 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- has 2 hydrogen bond donor(s) and 6 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-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-?
The CAS number of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- is 65655-58-5.
What is the molecular formula of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-?
The molecular formula of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- is C23H29ClN2O4.
What is the molecular weight of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-?
The molecular weight of 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- is 432.18 g/mol.
Where can I buy 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-?
You can request a quote for 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenenitrile, 3-(4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)phenyl), monohydrochloride, (-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.