1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide
TL;DR: 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide (CAS 112351-13-0) is a chemical compound with molecular formula C21H27IN2O and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylpyrrolidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide
Also Known As: 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methyl-, iodide, 4-(1-methylpyrrolidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide, 4-(1-Methylpyrrolidin-1-ium-1-yl)-2,2-diphenylbutanimidate--hydrogen iodide (1/1), RefChem:1069732
| Molecular Formula | C21H27IN2O |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.0925 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.11682 |
| Heavy Atoms | 25 |
| Complexity | 642.05695 |
Chemical Identifiers
| CAS Number | 112351-13-0 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[I-] |
Product Overview
1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide (CAS 112351-13-0), with molecular formula C21H27IN2O and molecular weight 450.12 g/mol. IUPAC: 4-(1-methylpyrrolidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide.
Chemical Property Profile of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide
Property Insights of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide
The XLogP value of 0.0925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide. With a topological polar surface area (TPSA) of 43.09 Ų, 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide?
The CAS number of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide is 112351-13-0.
What is the molecular formula of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide?
The molecular formula of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide is C21H27IN2O.
What is the molecular weight of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide?
The molecular weight of 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide is 450.12 g/mol.
Where can I buy 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide?
You can request a quote for 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Carbamoyl-3,3-diphenylpropyl)-1-methylpyrrolidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.