RefChem:1078861
TL;DR: RefChem:1078861 (CAS 52171-42-3) is a chemical compound with molecular formula C29H31NO10 and molecular weight 553.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Benzofuran, 4,7-dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, maleate, 4,7-Dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)benzofuran maleate, (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate, 2-Propen-1-one, 1-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranyl]-3-(4-hydroxyphenyl)-, (Z)-2-butenedioate (1:1) (salt), RefChem:1078861
| Molecular Formula | C29H31NO10 |
|---|---|
| Molecular Weight | 553.19 g/mol |
| LogP | 1.4863 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 553.1948 |
| Heavy Atoms | 40 |
| Complexity | 1366.0557 |
Chemical Identifiers
| CAS Number | 52171-42-3 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(=O)/C=C/C4=CC=C(C=C4)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1078861 (CAS 52171-42-3), with molecular formula C29H31NO10 and molecular weight 553.19 g/mol. IUPAC: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1078861
Property Insights of RefChem:1078861
The XLogP value of 1.4863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078861. The TPSA of 160.0 Ų indicates high polarity, suggesting RefChem:1078861 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078861 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078861?
The CAS number of RefChem:1078861 is 52171-42-3.
What is the molecular formula of RefChem:1078861?
The molecular formula of RefChem:1078861 is C29H31NO10.
What is the molecular weight of RefChem:1078861?
The molecular weight of RefChem:1078861 is 553.19 g/mol.
Where can I buy RefChem:1078861?
You can request a quote for RefChem:1078861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.