RefChem:1065268
TL;DR: RefChem:1065268 (CAS 133994-65-7) is a chemical compound with molecular formula C48H56N4O12 and molecular weight 880.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoyl]-1,3-dihydroindol-2-one)
Also Known As: 1,3-Dihydro-4-(2-(3-(t-butylamino)-2-hydroxypropoxy)benzoyl)-2H-indol-2-one fumarate (2:1), 2H-Indol-2-one, 1,3-dihydro-4-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)benzo)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoyl]-1,3-dihydroindol-2-one, RefChem:1065268
| Molecular Formula | C48H56N4O12 |
|---|---|
| Molecular Weight | 880.39 g/mol |
| LogP | 4.7918 |
| Topological Polar Surface Area | 249.92 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 880.38947 |
| Heavy Atoms | 64 |
| Complexity | 2200.1702 |
Chemical Identifiers
| CAS Number | 133994-65-7 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C(=O)C2=C3CC(=O)NC3=CC=C2)O.CC(C)(C)NCC(COC1=CC=CC=C1C(=O)C2=C3CC(=O)NC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1065268 (CAS 133994-65-7), with molecular formula C48H56N4O12 and molecular weight 880.39 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoyl]-1,3-dihydroindol-2-one).
Chemical Property Profile of RefChem:1065268
Property Insights of RefChem:1065268
The XLogP value of 4.7918 indicates that RefChem:1065268 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.92 Ų indicates high polarity, suggesting RefChem:1065268 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065268 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065268?
The CAS number of RefChem:1065268 is 133994-65-7.
What is the molecular formula of RefChem:1065268?
The molecular formula of RefChem:1065268 is C48H56N4O12.
What is the molecular weight of RefChem:1065268?
The molecular weight of RefChem:1065268 is 880.39 g/mol.
Where can I buy RefChem:1065268?
You can request a quote for RefChem:1065268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065268?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.