5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)
TL;DR: 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) (CAS 40680-83-9) is a chemical compound with molecular formula C27H31Cl2NO9 and molecular weight 583.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt), 5-BENZOFURANMETHANOL, alpha-(2-(3,4-DICHLOROPHENYL)ETHYL)-4,7-DIMETHOXY-6-(2-(DI, 2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1), RefChem:1072652
| Molecular Formula | C27H31Cl2NO9 |
|---|---|
| Molecular Weight | 583.14 g/mol |
| LogP | 2.3234 |
| Topological Polar Surface Area | 142.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 583.1376 |
| Heavy Atoms | 39 |
| Complexity | 1288.14 |
Chemical Identifiers
| CAS Number | 40680-83-9 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=C(C=C3)Cl)Cl)O)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) (CAS 40680-83-9), with molecular formula C27H31Cl2NO9 and molecular weight 583.14 g/mol. IUPAC: 2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)
Property Insights of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)
The XLogP value of 2.3234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt). The TPSA of 142.93 Ų indicates high polarity, suggesting 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)?
The CAS number of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) is 40680-83-9.
What is the molecular formula of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)?
The molecular formula of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) is C27H31Cl2NO9.
What is the molecular weight of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)?
The molecular weight of 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) is 583.14 g/mol.
Where can I buy 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)?
You can request a quote for 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.