RefChem:1062694
TL;DR: RefChem:1062694 (CAS 98612-64-7) is a chemical compound with molecular formula C12H21IN2O and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]but-2-ynyl]azanium iodide
Also Known As: (R)-4-(2-Methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-2-butyn-1-aminium iodide, (R)-N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone methiodide, 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide, (R)-, 2-Butyn-1-aminium, N,N,N-trimethyl-4-(2-methyl-5-oxo-1-pyrrolidinyl)-, iodide, (R)-, (R)-N,N,N-Trimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
| Molecular Formula | C12H21IN2O |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | -2.2891 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.06985 |
| Heavy Atoms | 16 |
| Complexity | 298.36618 |
Chemical Identifiers
| CAS Number | 98612-64-7 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)N1CC#CC[N+](C)(C)C.[I-] |
Product Overview
RefChem:1062694 (CAS 98612-64-7), with molecular formula C12H21IN2O and molecular weight 336.07 g/mol. IUPAC: trimethyl-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]but-2-ynyl]azanium iodide.
Chemical Property Profile of RefChem:1062694
Property Insights of RefChem:1062694
The XLogP value of -2.2891 indicates that RefChem:1062694 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.31 Ų, RefChem:1062694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062694 has 0 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 RefChem:1062694?
The CAS number of RefChem:1062694 is 98612-64-7.
What is the molecular formula of RefChem:1062694?
The molecular formula of RefChem:1062694 is C12H21IN2O.
What is the molecular weight of RefChem:1062694?
The molecular weight of RefChem:1062694 is 336.07 g/mol.
Where can I buy RefChem:1062694?
You can request a quote for RefChem:1062694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.