RefChem:1065270
TL;DR: RefChem:1065270 (CAS 109920-76-5) is a chemical compound with molecular formula C52H64N4O12 and molecular weight 936.4521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;bis(4-[3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one)
Also Known As: 2H-Indol-2-one, 1,3-dihydro-4-(3-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-oxopropyl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 4-[3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one
Technical Specifications
| Molecular Formula | C52H64N4O12 |
| Molecular Weight | 936.4521 g/mol |
| XLogP | 5.9608 |
| Topological Polar Surface Area (TPSA) | 250.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 936.4521 Da |
| Heavy Atoms | 68 |
| Complexity | 707.0 |
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3CC(=O)NC3=CC=C2)O.CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3CC(=O)NC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | OWJOADYNJAZLJH-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1065270
Property Insights of RefChem:1065270
The XLogP value of 5.9608 indicates that RefChem:1065270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 250.0 Ų indicates high polarity, suggesting RefChem:1065270 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065270 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1065270?
The CAS number of RefChem:1065270 is 109920-76-5.
What is the molecular formula of RefChem:1065270?
The molecular formula of RefChem:1065270 is C52H64N4O12.
What is the molecular weight of RefChem:1065270?
The molecular weight of RefChem:1065270 is 936.4521 g/mol.
Where can I buy RefChem:1065270?
You can request a quote for RefChem:1065270 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1065270?
Yes, CoreyChem provides custom synthesis services for RefChem:1065270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.