RefChem:1068945
TL;DR: RefChem:1068945 (CAS 132953-09-4) is a chemical compound with molecular formula C44H64N8O14 and molecular weight 928.45 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(1-(2-ethoxyethyl)-2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-b]pyridine)
Also Known As: C16H24N4O.3/2C4H4O3, C16-H24-N4-O.3/2C4-H4-O3, 3-(2-Ethoxyethyl)-2-(1-methylpiperidin-4-yl)-3H-imidazo(4,5-b)pyridine hemitrifumarate, 3H-Imidazo(4,5-b)pyridine, 1-(2-ethoxyethyl)-2-(1-methyl-4-piperidinyl)-, (E)-2-butenedioate (2:3), (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-b]pyridine
| Molecular Formula | C44H64N8O14 |
|---|---|
| Molecular Weight | 928.45 g/mol |
| LogP | 3.1712 |
| Topological Polar Surface Area | 305.06 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 928.4542 |
| Heavy Atoms | 66 |
| Complexity | 1719.1619 |
Chemical Identifiers
| CAS Number | 132953-09-4 |
|---|---|
| SMILES | CCOCCN1C2=C(N=CC=C2)NC1C3CCN(CC3)C.CCOCCN1C2=C(N=CC=C2)NC1C3CCN(CC3)C.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:1068945 (CAS 132953-09-4), with molecular formula C44H64N8O14 and molecular weight 928.45 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(1-(2-ethoxyethyl)-2-(1-methylpiperidin-4-yl)-2,3-dihydroimidazo[4,5-b]pyridine).
Chemical Property Profile of RefChem:1068945
Property Insights of RefChem:1068945
The XLogP value of 3.1712 indicates that RefChem:1068945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 305.06 Ų indicates high polarity, suggesting RefChem:1068945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1068945 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1068945?
The CAS number of RefChem:1068945 is 132953-09-4.
What is the molecular formula of RefChem:1068945?
The molecular formula of RefChem:1068945 is C44H64N8O14.
What is the molecular weight of RefChem:1068945?
The molecular weight of RefChem:1068945 is 928.45 g/mol.
Where can I buy RefChem:1068945?
You can request a quote for RefChem:1068945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.