RefChem:1064399
TL;DR: RefChem:1064399 (CAS 41226-12-4) 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)-but-2-enedioic acid;(Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(4-hydroxyphenyl)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; (Z)-1-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one, RefChem:1064399
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 3.7039 |
| Topological Polar Surface Area | 155.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 1303.872 |
Chemical Identifiers
| CAS Number | 41226-12-4 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C\C3=CC=C(C=C3)O)OC)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064399 (CAS 41226-12-4), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: (E)-but-2-enedioic acid;(Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of RefChem:1064399
Property Insights of RefChem:1064399
The XLogP value of 3.7039 indicates that RefChem:1064399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.97 Ų indicates high polarity, suggesting RefChem:1064399 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064399 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:1064399?
The CAS number of RefChem:1064399 is 41226-12-4.
What is the molecular formula of RefChem:1064399?
The molecular formula of RefChem:1064399 is C27H29NO10.
What is the molecular weight of RefChem:1064399?
The molecular weight of RefChem:1064399 is 527.18 g/mol.
Where can I buy RefChem:1064399?
You can request a quote for RefChem:1064399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064399?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.