RefChem:266855
TL;DR: RefChem:266855 (CAS 98612-67-0) 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((5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid
Also Known As: (S)-N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone sesquioxalate, C11-H18-N2-O.3/2C2-H2-O4, (S)-1-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate (2:3), 2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, (S)-, ethanedioate (2:3), (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one; oxalic acid
| 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 | 98612-67-0 |
|---|---|
| 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:266855 (CAS 98612-67-0), with molecular formula C28H42N4O14 and molecular weight 658.27 g/mol. IUPAC: bis((5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one);oxalic acid.
Chemical Property Profile of RefChem:266855
Property Insights of RefChem:266855
The XLogP value of -1.4086 indicates that RefChem:266855 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:266855 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:266855 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:266855?
The CAS number of RefChem:266855 is 98612-67-0.
What is the molecular formula of RefChem:266855?
The molecular formula of RefChem:266855 is C28H42N4O14.
What is the molecular weight of RefChem:266855?
The molecular weight of RefChem:266855 is 658.27 g/mol.
Where can I buy RefChem:266855?
You can request a quote for RefChem:266855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266855?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.