RefChem:1064235
TL;DR: RefChem:1064235 (CAS 109920-83-4) is a chemical compound with molecular formula C52H68N4O8 and molecular weight 876.50 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-(tert-butylamino)-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propan-2-ol)
Also Known As: 1-(1,1-Dimethylethylamino)-3-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-2-propanol fumarate, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-, (E)-2-butenedioate (2:1) (salt), but-2-enedioic acid, 1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(tert-bu tylamino)propan-2-ol, (E)-but-2-enedioic acid;1-(tert-butylamino)-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propan-2-ol, (E)-but-2-enedioic acid,1-(tert-butylamino)-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propan-2-ol
| Molecular Formula | C52H68N4O8 |
|---|---|
| Molecular Weight | 876.50 g/mol |
| LogP | 8.6538 |
| Topological Polar Surface Area | 189.16 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 876.5037 |
| Heavy Atoms | 64 |
| Complexity | 2189.5596 |
Chemical Identifiers
| CAS Number | 109920-83-4 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1CCCC2=C3C=CNC3=CC=C2)O.CC(C)(C)NCC(COC1=CC=CC=C1CCCC2=C3C=CNC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064235 (CAS 109920-83-4), with molecular formula C52H68N4O8 and molecular weight 876.50 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-(tert-butylamino)-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propan-2-ol).
Chemical Property Profile of RefChem:1064235
Property Insights of RefChem:1064235
The XLogP value of 8.6538 indicates that RefChem:1064235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.16 Ų indicates high polarity, suggesting RefChem:1064235 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1064235 has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064235?
The CAS number of RefChem:1064235 is 109920-83-4.
What is the molecular formula of RefChem:1064235?
The molecular formula of RefChem:1064235 is C52H68N4O8.
What is the molecular weight of RefChem:1064235?
The molecular weight of RefChem:1064235 is 876.50 g/mol.
Where can I buy RefChem:1064235?
You can request a quote for RefChem:1064235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064235?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.