RefChem:1097856
TL;DR: RefChem:1097856 (CAS 65843-84-7) is a chemical compound with molecular formula C50H64N4O12 and molecular weight 912.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((E)-but-2-enedioic acid);bis(4-[3-[(3R,4R)-3-ethylpiperidin-4-yl]propyl]quinoline)
Also Known As: (3R-cis)-4-(3-(3-Ethyl-4-piperidinyl)propyl)quinoline (E)-2-butenedioate (2:3), 4(R)-(3-(4-Quinolyl)propyl) 3(R)-ethyl piperidine fumarate, Quinoline, 4-(3-(ethyl-4-piperidinyl)propyl)-, (3R-cis)-, (E)-2-butenedioate (2:3), (E)-but-2-enedioic acid; 4-[3-[(3R,4R)-3-ethylpiperidin-4-yl]propyl]quinoline, RefChem:1097856
| Molecular Formula | C50H64N4O12 |
|---|---|
| Molecular Weight | 912.45 g/mol |
| LogP | 7.5218 |
| Topological Polar Surface Area | 273.64 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 912.4521 |
| Heavy Atoms | 66 |
| Complexity | 1997.0037 |
Chemical Identifiers
| CAS Number | 65843-84-7 |
|---|---|
| SMILES | CC[C@@H]1[C@@H](CCNC1)CCCC2=CC=NC3=CC=CC=C23.CC[C@@H]1[C@@H](CCNC1)CCCC2=CC=NC3=CC=CC=C23.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097856 (CAS 65843-84-7), with molecular formula C50H64N4O12 and molecular weight 912.45 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(4-[3-[(3R,4R)-3-ethylpiperidin-4-yl]propyl]quinoline).
Chemical Property Profile of RefChem:1097856
Property Insights of RefChem:1097856
The XLogP value of 7.5218 indicates that RefChem:1097856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.64 Ų indicates high polarity, suggesting RefChem:1097856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097856 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:1097856?
The CAS number of RefChem:1097856 is 65843-84-7.
What is the molecular formula of RefChem:1097856?
The molecular formula of RefChem:1097856 is C50H64N4O12.
What is the molecular weight of RefChem:1097856?
The molecular weight of RefChem:1097856 is 912.45 g/mol.
Where can I buy RefChem:1097856?
You can request a quote for RefChem:1097856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.