RefChem:266854
TL;DR: RefChem:266854 (CAS 98612-66-9) is a chemical compound with molecular formula C28H42N4O14 and molecular weight 658.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((5R)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid
Also Known As: 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, (R)-, ethanedioate (2:3), C11-H18-N2-O.3/2C2-H2-O4, (R)-N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone sesquioxalate, (5R)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one; oxalic acid, 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, ethanedioate (2:3)
| Molecular Formula | C28H42N4O14 |
|---|---|
| Molecular Weight | 658.27 g/mol |
| LogP | -1.4086 |
| Topological Polar Surface Area | 270.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 658.2698 |
| Heavy Atoms | 46 |
| Complexity | 1044.9224 |
Chemical Identifiers
| CAS Number | 98612-66-9 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)N1CC#CCN(C)C.C[C@@H]1CCC(=O)N1CC#CCN(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:266854 (CAS 98612-66-9), with molecular formula C28H42N4O14 and molecular weight 658.27 g/mol. IUPAC: bis((5R)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid.
Chemical Property Profile of RefChem:266854
Property Insights of RefChem:266854
The XLogP value of -1.4086 indicates that RefChem:266854 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.9 Ų indicates high polarity, suggesting RefChem:266854 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:266854 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:266854?
The CAS number of RefChem:266854 is 98612-66-9.
What is the molecular formula of RefChem:266854?
The molecular formula of RefChem:266854 is C28H42N4O14.
What is the molecular weight of RefChem:266854?
The molecular weight of RefChem:266854 is 658.27 g/mol.
Where can I buy RefChem:266854?
You can request a quote for RefChem:266854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.