Oxotremorine sesquioxalate
TL;DR: Oxotremorine sesquioxalate (CAS 6109-69-9) is a chemical compound with molecular formula C30H42N4O14 and molecular weight 682.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;bis(1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one)
Also Known As: Oxotremorine sesquioxalate, C12H18N2O.3/2C2H2O4, 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (2:3), 1-(4-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinone oxalate (2:3), C12-H18-N2-O.3/2C2-H2-O4
| Molecular Formula | C30H42N4O14 |
|---|---|
| Molecular Weight | 682.27 g/mol |
| LogP | -1.1172 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 682.2698 |
| Heavy Atoms | 48 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 6109-69-9 |
|---|---|
| SMILES | C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | OOSKKJWVASATRO-UHFFFAOYSA-N |
Product Overview
Oxotremorine sesquioxalate (CAS 6109-69-9), with molecular formula C30H42N4O14 and molecular weight 682.27 g/mol. IUPAC: oxalic acid;bis(1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one).
Chemical Property Profile of Oxotremorine sesquioxalate
Property Insights of Oxotremorine sesquioxalate
The XLogP value of -1.1172 indicates that Oxotremorine sesquioxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting Oxotremorine sesquioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxotremorine sesquioxalate has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxotremorine sesquioxalate?
The CAS number of Oxotremorine sesquioxalate is 6109-69-9.
What is the molecular formula of Oxotremorine sesquioxalate?
The molecular formula of Oxotremorine sesquioxalate is C30H42N4O14.
What is the molecular weight of Oxotremorine sesquioxalate?
The molecular weight of Oxotremorine sesquioxalate is 682.27 g/mol.
Where can I buy Oxotremorine sesquioxalate?
You can request a quote for Oxotremorine sesquioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxotremorine sesquioxalate?
Yes, KEHONG BIO provides custom synthesis services for Oxotremorine sesquioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.