RefChem:1056937
TL;DR: RefChem:1056937 (CAS 106909-63-1) is a chemical compound with molecular formula C50H82N2O12 and molecular weight 902.59 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-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one)
Also Known As: 1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1), 1-Propanone, 1-(3-((heptyloxy)methyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one, RefChem:1056937
| Molecular Formula | C50H82N2O12 |
|---|---|
| Molecular Weight | 902.59 g/mol |
| LogP | 8.7198 |
| Topological Polar Surface Area | 210.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Exact Mass | 902.5868 |
| Heavy Atoms | 64 |
| Complexity | 1480.8934 |
Chemical Identifiers
| CAS Number | 106909-63-1 |
|---|---|
| SMILES | CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056937 (CAS 106909-63-1), with molecular formula C50H82N2O12 and molecular weight 902.59 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one).
Chemical Property Profile of RefChem:1056937
Property Insights of RefChem:1056937
The XLogP value of 8.7198 indicates that RefChem:1056937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.18 Ų indicates high polarity, suggesting RefChem:1056937 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056937 has 6 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:1056937?
The CAS number of RefChem:1056937 is 106909-63-1.
What is the molecular formula of RefChem:1056937?
The molecular formula of RefChem:1056937 is C50H82N2O12.
What is the molecular weight of RefChem:1056937?
The molecular weight of RefChem:1056937 is 902.59 g/mol.
Where can I buy RefChem:1056937?
You can request a quote for RefChem:1056937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.