RefChem:1064357
TL;DR: RefChem:1064357 (CAS 52171-43-4) is a chemical compound with molecular formula C29H31NO11 and molecular weight 569.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(Z)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
Also Known As: Benzofuran, 4,7-dimethoxy-5-(2-hydroxycinnamoyl)-6-(2-morpholinoethoxy)-, (Z)-2-butenedioate, 2-Propen-1-one, 1-(4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-5-benzofuranyl)-3-(2-hydroxyphenyl)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; (Z)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one, RefChem:1064357
| Molecular Formula | C29H31NO11 |
|---|---|
| Molecular Weight | 569.19 g/mol |
| LogP | 3.4745 |
| Topological Polar Surface Area | 165.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 569.1897 |
| Heavy Atoms | 41 |
| Complexity | 1401.6288 |
Chemical Identifiers
| CAS Number | 52171-43-4 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(=O)/C=C\C4=CC=CC=C4O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064357 (CAS 52171-43-4), with molecular formula C29H31NO11 and molecular weight 569.19 g/mol. IUPAC: (E)-but-2-enedioic acid;(Z)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of RefChem:1064357
Property Insights of RefChem:1064357
The XLogP value of 3.4745 indicates that RefChem:1064357 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.2 Ų indicates high polarity, suggesting RefChem:1064357 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064357 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064357?
The CAS number of RefChem:1064357 is 52171-43-4.
What is the molecular formula of RefChem:1064357?
The molecular formula of RefChem:1064357 is C29H31NO11.
What is the molecular weight of RefChem:1064357?
The molecular weight of RefChem:1064357 is 569.19 g/mol.
Where can I buy RefChem:1064357?
You can request a quote for RefChem:1064357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064357?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.