RefChem:445078
TL;DR: RefChem:445078 (CAS 64051-48-5) is a chemical compound with molecular formula C54H99N5O4 and molecular weight 881.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-[2-[2-(3-icos-8-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octadec-11-enylpyrrolidine-2,5-dione
Also Known As: 2,5-Pyrrolidinedione, 1-[2-[[2-[[2-[[2-[3-(eicosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)-, 2,5-Pyrrolidinedione, 1-(2-((2-((2-((2-(3-(eicosenyl)-2,5-dioxo-1-pyrrolidinyl)ethyl)amino)ethyl)amino)ethyl)amino)ethyl)-3-(octadecenyl)-, RefChem:445078
| Molecular Formula | C54H99N5O4 |
|---|---|
| Molecular Weight | 881.77 g/mol |
| LogP | 15.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 46 |
| Exact Mass | 881.7697 |
| Heavy Atoms | 63 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 64051-48-5 |
|---|---|
| SMILES | CCCCCCCCCCCC=CCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)CCCCCCCCCCC=CCCCCCC |
| InChIKey | HMQRVHTWHSVMNR-UHFFFAOYSA-N |
Product Overview
RefChem:445078 (CAS 64051-48-5), with molecular formula C54H99N5O4 and molecular weight 881.77 g/mol. IUPAC: 1-[2-[2-[2-[2-(3-icos-8-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octadec-11-enylpyrrolidine-2,5-dione.
Chemical Property Profile of RefChem:445078
Property Insights of RefChem:445078
The XLogP value of 15.2 indicates that RefChem:445078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:445078. Following Lipinski's Rule of Five, RefChem:445078 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:445078?
The CAS number of RefChem:445078 is 64051-48-5.
What is the molecular formula of RefChem:445078?
The molecular formula of RefChem:445078 is C54H99N5O4.
What is the molecular weight of RefChem:445078?
The molecular weight of RefChem:445078 is 881.77 g/mol.
Where can I buy RefChem:445078?
You can request a quote for RefChem:445078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:445078?
Yes, KEHONG BIO provides custom synthesis services for RefChem:445078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.