RefChem:1056932
TL;DR: RefChem:1056932 (CAS 109920-71-0) is a chemical compound with molecular formula C52H64N4O10 and molecular weight 904.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one)
Also Known As: 1-(2-(3-(1,1-Dimethylethylamino)-2-hydroxypropoxy)phenyl)-3-(1H-indol-4-yl)-1-propanone, 1-Propanone, 1-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one, RefChem:1056932
| Molecular Formula | C52H64N4O10 |
|---|---|
| Molecular Weight | 904.46 g/mol |
| LogP | 7.9342 |
| Topological Polar Surface Area | 223.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 904.4622 |
| Heavy Atoms | 66 |
| Complexity | 2354.223 |
Chemical Identifiers
| CAS Number | 109920-71-0 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O.CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056932 (CAS 109920-71-0), with molecular formula C52H64N4O10 and molecular weight 904.46 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one).
Chemical Property Profile of RefChem:1056932
Property Insights of RefChem:1056932
The XLogP value of 7.9342 indicates that RefChem:1056932 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.3 Ų indicates high polarity, suggesting RefChem:1056932 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056932 has 8 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:1056932?
The CAS number of RefChem:1056932 is 109920-71-0.
What is the molecular formula of RefChem:1056932?
The molecular formula of RefChem:1056932 is C52H64N4O10.
What is the molecular weight of RefChem:1056932?
The molecular weight of RefChem:1056932 is 904.46 g/mol.
Where can I buy RefChem:1056932?
You can request a quote for RefChem:1056932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056932?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.