Einecs 255-605-4
TL;DR: Einecs 255-605-4 (CAS 41988-33-4) is a chemical compound with molecular formula C43H48N2O13 and molecular weight 800.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethoxy]-4-oxo-2-phenylchromen-5-yl]oxyacetic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: EINECS 255-605-4, ((7-(2-(1-(m,p-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)-2-oxoethoxy)-4-oxo-2-phenyl-4H-1-benzopyran-5-yl)oxy)acetic acid, compound with 2,2'-iminodiethanol (1:1), [[7-[2-[1-(m,p-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl]-2-oxoethoxy]-4-oxo-2-phenyl-4H-1-benzopyran-5-yl]oxy]acetic acid, compound with 2,2'-iminodiethanol (1:1), {[7-(2-{1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-oxoethoxy)-4-oxo-2-phenyl-4H-1-benzopyran-5-yl]oxy}acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1), 2-[7-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethoxy]-4-oxo-2-phenylchromen-5-yl]oxyacetic acid; 2-(2-hydroxyethylamino)ethanol
| Molecular Formula | C43H48N2O13 |
|---|---|
| Molecular Weight | 800.32 g/mol |
| LogP | 4.2659 |
| Topological Polar Surface Area | 195.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 800.3156 |
| Heavy Atoms | 58 |
| Complexity | 2220.7449 |
Chemical Identifiers
| CAS Number | 41988-33-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)COC4=CC5=C(C(=C4)OCC(=O)O)C(=O)C=C(O5)C6=CC=CC=C6)OC)OC)OC.C(CO)NCCO |
Product Overview
Einecs 255-605-4 (CAS 41988-33-4), with molecular formula C43H48N2O13 and molecular weight 800.32 g/mol. IUPAC: 2-[7-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethoxy]-4-oxo-2-phenylchromen-5-yl]oxyacetic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Einecs 255-605-4
Property Insights of Einecs 255-605-4
The XLogP value of 4.2659 indicates that Einecs 255-605-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.69 Ų indicates high polarity, suggesting Einecs 255-605-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 255-605-4 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 255-605-4?
The CAS number of Einecs 255-605-4 is 41988-33-4.
What is the molecular formula of Einecs 255-605-4?
The molecular formula of Einecs 255-605-4 is C43H48N2O13.
What is the molecular weight of Einecs 255-605-4?
The molecular weight of Einecs 255-605-4 is 800.32 g/mol.
Where can I buy Einecs 255-605-4?
You can request a quote for Einecs 255-605-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 255-605-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 255-605-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.