RefChem:1064353
TL;DR: RefChem:1064353 (CAS 41226-39-5) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.18 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-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one;oxalic acid
Also Known As: Benzofuran, 4,7-dimethoxy-5-(2-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, oxalate, 2-Propen-1-one, 1-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-3-(2-hydroxyphenyl)-, ethanedioate (1:1) (salt), (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one; oxalic acid, RefChem:1064353
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 3.6819 |
| Topological Polar Surface Area | 155.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 1308.8846 |
Chemical Identifiers
| CAS Number | 41226-39-5 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC=CC=C4O.C(=O)(C(=O)O)O |
Product Overview
RefChem:1064353 (CAS 41226-39-5), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one;oxalic acid.
Chemical Property Profile of RefChem:1064353
Property Insights of RefChem:1064353
The XLogP value of 3.6819 indicates that RefChem:1064353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.97 Ų indicates high polarity, suggesting RefChem:1064353 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064353 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:1064353?
The CAS number of RefChem:1064353 is 41226-39-5.
What is the molecular formula of RefChem:1064353?
The molecular formula of RefChem:1064353 is C27H29NO10.
What is the molecular weight of RefChem:1064353?
The molecular weight of RefChem:1064353 is 527.18 g/mol.
Where can I buy RefChem:1064353?
You can request a quote for RefChem:1064353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.