RefChem:1056934
TL;DR: RefChem:1056934 (CAS 98696-69-6) is a chemical compound with molecular formula C50H72N4O10 and molecular weight 888.52 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-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one)
Also Known As: 1-Propanone, 1-(2-(3-(bis(1-methylethyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrrol-2-yl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one, RefChem:1056934
| Molecular Formula | C50H72N4O10 |
|---|---|
| Molecular Weight | 888.52 g/mol |
| LogP | 7.11 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 888.52484 |
| Heavy Atoms | 64 |
| Complexity | 1890.4246 |
Chemical Identifiers
| CAS Number | 98696-69-6 |
|---|---|
| SMILES | CC(C)N(CC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O)C(C)C.CC(C)N(CC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O)C(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056934 (CAS 98696-69-6), with molecular formula C50H72N4O10 and molecular weight 888.52 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one).
Chemical Property Profile of RefChem:1056934
Property Insights of RefChem:1056934
The XLogP value of 7.11 indicates that RefChem:1056934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting RefChem:1056934 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056934 has 4 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:1056934?
The CAS number of RefChem:1056934 is 98696-69-6.
What is the molecular formula of RefChem:1056934?
The molecular formula of RefChem:1056934 is C50H72N4O10.
What is the molecular weight of RefChem:1056934?
The molecular weight of RefChem:1056934 is 888.52 g/mol.
Where can I buy RefChem:1056934?
You can request a quote for RefChem:1056934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056934?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.