RefChem:1064397
TL;DR: RefChem:1064397 (CAS 41226-10-2) is a chemical compound with molecular formula C28H33NO12 and molecular weight 575.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;oxalic acid
Also Known As: 2-Propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(3,4,5-trimethoxyphenyl)-, ethanedioate (1:1), (E)-1-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; oxalic acid, RefChem:1064397
| Molecular Formula | C28H33NO12 |
|---|---|
| Molecular Weight | 575.20 g/mol |
| LogP | 3.4679 |
| Topological Polar Surface Area | 163.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 575.20026 |
| Heavy Atoms | 41 |
| Complexity | 1369.8037 |
Chemical Identifiers
| CAS Number | 41226-10-2 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O |
Product Overview
RefChem:1064397 (CAS 41226-10-2), with molecular formula C28H33NO12 and molecular weight 575.20 g/mol. IUPAC: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;oxalic acid.
Chemical Property Profile of RefChem:1064397
Property Insights of RefChem:1064397
The XLogP value of 3.4679 indicates that RefChem:1064397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.43 Ų indicates high polarity, suggesting RefChem:1064397 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064397 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064397?
The CAS number of RefChem:1064397 is 41226-10-2.
What is the molecular formula of RefChem:1064397?
The molecular formula of RefChem:1064397 is C28H33NO12.
What is the molecular weight of RefChem:1064397?
The molecular weight of RefChem:1064397 is 575.20 g/mol.
Where can I buy RefChem:1064397?
You can request a quote for RefChem:1064397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064397?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.