RefChem:1056931
TL;DR: RefChem:1056931 (CAS 109947-21-9) is a chemical compound with molecular formula C50H60N4O10 and molecular weight 876.43 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-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one)
Also Known As: o-(2-tetrahydropyranyloxymethyl)phenylmagnesium bromide, 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one, 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indo l-4-yl)-, (E)-2-butenedioate, (E)-but-2-enedioic acid,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
| Molecular Formula | C50H60N4O10 |
|---|---|
| Molecular Weight | 876.43 g/mol |
| LogP | 7.1572 |
| Topological Polar Surface Area | 223.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 876.43097 |
| Heavy Atoms | 64 |
| Complexity | 2238.8435 |
Chemical Identifiers
| CAS Number | 109947-21-9 |
|---|---|
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O.CCCNCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056931 (CAS 109947-21-9), with molecular formula C50H60N4O10 and molecular weight 876.43 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one).
Chemical Property Profile of RefChem:1056931
Property Insights of RefChem:1056931
The XLogP value of 7.1572 indicates that RefChem:1056931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.3 Ų indicates high polarity, suggesting RefChem:1056931 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056931 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:1056931?
The CAS number of RefChem:1056931 is 109947-21-9.
What is the molecular formula of RefChem:1056931?
The molecular formula of RefChem:1056931 is C50H60N4O10.
What is the molecular weight of RefChem:1056931?
The molecular weight of RefChem:1056931 is 876.43 g/mol.
Where can I buy RefChem:1056931?
You can request a quote for RefChem:1056931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056931?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.