RefChem:319188
TL;DR: RefChem:319188 (CAS 66902-73-6) is a chemical compound with molecular formula C20H31IN2O and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetyl-2-methylindolizin-1-yl)propyl-butyl-dimethylazanium iodide
Also Known As: Ammonium, butyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, iodide, Butyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)ammonium iodide, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-butyl-dimethylazanium iodide, N-(2-(3-Acetyl-2-methylindolizin-1-yl)propyl)-N,N-dimethylbutan-1-aminium iodide, 1-Indolizineethanaminium, 3-acetyl-N-butyl-N,N,.beta.,2-tetramethyl-, iodide
| Molecular Formula | C20H31IN2O |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1481 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 66902-73-6 |
|---|---|
| SMILES | CCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[I-] |
| InChIKey | IGRJLPJSBAYANH-UHFFFAOYSA-M |
Product Overview
RefChem:319188 (CAS 66902-73-6), with molecular formula C20H31IN2O and molecular weight 442.15 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-butyl-dimethylazanium iodide.
Chemical Property Profile of RefChem:319188
Property Insights of RefChem:319188
The XLogP value of 1.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319188. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:319188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319188 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:319188?
The CAS number of RefChem:319188 is 66902-73-6.
What is the molecular formula of RefChem:319188?
The molecular formula of RefChem:319188 is C20H31IN2O.
What is the molecular weight of RefChem:319188?
The molecular weight of RefChem:319188 is 442.15 g/mol.
Where can I buy RefChem:319188?
You can request a quote for RefChem:319188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.