RefChem:378131
TL;DR: RefChem:378131 (CAS 1676-26-2) is a chemical compound with molecular formula C16H27IN2O and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide
Also Known As: 1-methyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]pyrrolidinium iodide, Pyrrolidinium, 1-(2-(1,3-dihydro-2-oxo-3,5,7-trimethyl-2H-azepin-1-yl)ethyl)-1-methyl-, iodide, 3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide, 3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one;iodide, 1-Methyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1H-azepin-1-yl)ethyl]pyrrolidin-1-ium iodide
| Molecular Formula | C16H27IN2O |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.11682 |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 1676-26-2 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC[N+]2(CCCC2)C)C)C.[I-] |
| InChIKey | GWOGJSSMDYLPGA-UHFFFAOYSA-M |
Product Overview
RefChem:378131 (CAS 1676-26-2), with molecular formula C16H27IN2O and molecular weight 390.12 g/mol. IUPAC: 3,5,7-trimethyl-1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3H-azepin-2-one iodide.
Chemical Property Profile of RefChem:378131
Property Insights of RefChem:378131
The XLogP value of -0.44 indicates that RefChem:378131 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, RefChem:378131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378131 has 0 hydrogen bond donor(s) and 2 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:378131?
The CAS number of RefChem:378131 is 1676-26-2.
What is the molecular formula of RefChem:378131?
The molecular formula of RefChem:378131 is C16H27IN2O.
What is the molecular weight of RefChem:378131?
The molecular weight of RefChem:378131 is 390.12 g/mol.
Where can I buy RefChem:378131?
You can request a quote for RefChem:378131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378131?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.