RefChem:1072651
TL;DR: RefChem:1072651 (CAS 131964-87-9) is a chemical compound with molecular formula C28H34N2O10 and molecular weight 558.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-(2-aminoethoxy)-1-(1-benzofuran-5-yl)ethanol);(E)-but-2-enedioic acid
Also Known As: alpha-((2-Aminoethoxy)methyl)-5-benzofuranmethanol (E)-2-butenedioate (2:1) (salt), 5-Benzofuranmethanol, alpha-((2-aminoethoxy)methyl)-, (E)-2-butenedioate (2:1) (salt), 1-[2-(2-aminoethoxy)-1-benzofuran-5-yl]ethanol,but-2-enedioi, 2-(2-aminoethoxy)-1-(1-benzofuran-5-yl)ethanol;(E)-but-2-enedioic acid, 2-(2-aminoethoxy)-1-benzofuran-5-yl-ethanol; but-2-enedioic acid
| Molecular Formula | C28H34N2O10 |
|---|---|
| Molecular Weight | 558.22 g/mol |
| LogP | 2.5948 |
| Topological Polar Surface Area | 211.84 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 558.2214 |
| Heavy Atoms | 40 |
| Complexity | 1245.1334 |
Chemical Identifiers
| CAS Number | 131964-87-9 |
|---|---|
| SMILES | C1=CC2=C(C=CO2)C=C1C(COCCN)O.C1=CC2=C(C=CO2)C=C1C(COCCN)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1072651 (CAS 131964-87-9), with molecular formula C28H34N2O10 and molecular weight 558.22 g/mol. IUPAC: bis(2-(2-aminoethoxy)-1-(1-benzofuran-5-yl)ethanol);(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1072651
Property Insights of RefChem:1072651
The XLogP value of 2.5948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072651. The TPSA of 211.84 Ų indicates high polarity, suggesting RefChem:1072651 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1072651 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1072651?
The CAS number of RefChem:1072651 is 131964-87-9.
What is the molecular formula of RefChem:1072651?
The molecular formula of RefChem:1072651 is C28H34N2O10.
What is the molecular weight of RefChem:1072651?
The molecular weight of RefChem:1072651 is 558.22 g/mol.
Where can I buy RefChem:1072651?
You can request a quote for RefChem:1072651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.