RefChem:1056929
TL;DR: RefChem:1056929 (CAS 98696-72-1) is a chemical compound with molecular formula C44H60N4O10 and molecular weight 804.43 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-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrrol-3-yl)propan-1-one)
Also Known As: 1-Propanone, 1-(2-(2-hydroxy-3-((1-methylethyl)amino)ypropoxy)phenyl)-3-(1-methyl-1H-pyrrol-3-yl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrrol-3-yl)propan-1-one, RefChem:1056929
| Molecular Formula | C44H60N4O10 |
|---|---|
| Molecular Weight | 804.43 g/mol |
| LogP | 4.8684 |
| Topological Polar Surface Area | 201.58 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Exact Mass | 804.43097 |
| Heavy Atoms | 58 |
| Complexity | 1746.7834 |
Chemical Identifiers
| CAS Number | 98696-72-1 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(C=C2)C)O.CC(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(C=C2)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056929 (CAS 98696-72-1), with molecular formula C44H60N4O10 and molecular weight 804.43 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrrol-3-yl)propan-1-one).
Chemical Property Profile of RefChem:1056929
Property Insights of RefChem:1056929
The XLogP value of 4.8684 indicates that RefChem:1056929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.58 Ų indicates high polarity, suggesting RefChem:1056929 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056929 has 6 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:1056929?
The CAS number of RefChem:1056929 is 98696-72-1.
What is the molecular formula of RefChem:1056929?
The molecular formula of RefChem:1056929 is C44H60N4O10.
What is the molecular weight of RefChem:1056929?
The molecular weight of RefChem:1056929 is 804.43 g/mol.
Where can I buy RefChem:1056929?
You can request a quote for RefChem:1056929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.