EINECS 257-699-2
TL;DR: EINECS 257-699-2 (CAS 52171-36-5) is a chemical compound with molecular formula C26H29NO10 and molecular weight 515.18 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-(4-methoxyphenyl)prop-2-en-1-one;oxalic acid
Also Known As: EINECS 257-699-2, 2-(4,7-Dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy)ethyldimethylammonium hydrogen oxalate, 2-[4,7-dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy]ethyldimethylammonium hydrogen oxalate, (E)-1-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one; oxalic acid
| Molecular Formula | C26H29NO10 |
|---|---|
| Molecular Weight | 515.18 g/mol |
| LogP | 3.4507 |
| Topological Polar Surface Area | 144.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.17914 |
| Heavy Atoms | 37 |
| Complexity | 1246.5931 |
Chemical Identifiers
| CAS Number | 52171-36-5 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC.C(=O)(C(=O)O)O |
Product Overview
EINECS 257-699-2 (CAS 52171-36-5), with molecular formula C26H29NO10 and molecular weight 515.18 g/mol. IUPAC: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one;oxalic acid.
Chemical Property Profile of EINECS 257-699-2
Property Insights of EINECS 257-699-2
The XLogP value of 3.4507 indicates that EINECS 257-699-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.97 Ų indicates high polarity, suggesting EINECS 257-699-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 257-699-2 has 2 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 EINECS 257-699-2?
The CAS number of EINECS 257-699-2 is 52171-36-5.
What is the molecular formula of EINECS 257-699-2?
The molecular formula of EINECS 257-699-2 is C26H29NO10.
What is the molecular weight of EINECS 257-699-2?
The molecular weight of EINECS 257-699-2 is 515.18 g/mol.
Where can I buy EINECS 257-699-2?
You can request a quote for EINECS 257-699-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-699-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-699-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.