RefChem:318743
TL;DR: RefChem:318743 (CAS 66902-66-7) is a chemical compound with molecular formula C21H33BrN2O and molecular weight 408.18 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-dimethyl-pentylazanium bromide
Also Known As: (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentylammonium bromide, Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylpentyl-, bromide, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-pentylazanium bromide, 1-Indolizineethanaminium, 3-acetyl-N,N,.beta.,2-tetramethyl-N-pentyl-, bromide, N-(2-(3-Acetyl-2-methylindolizin-1-yl)propyl)-N,N-dimethylpentan-1-aminium bromide
| Molecular Formula | C21H33BrN2O |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 1.82 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.17764 |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 66902-66-7 |
|---|---|
| SMILES | CCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[Br-] |
| InChIKey | NIHDBMSFISHLLC-UHFFFAOYSA-M |
Product Overview
RefChem:318743 (CAS 66902-66-7), with molecular formula C21H33BrN2O and molecular weight 408.18 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-pentylazanium bromide.
Chemical Property Profile of RefChem:318743
Property Insights of RefChem:318743
The XLogP value of 1.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318743. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:318743 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318743 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:318743?
The CAS number of RefChem:318743 is 66902-66-7.
What is the molecular formula of RefChem:318743?
The molecular formula of RefChem:318743 is C21H33BrN2O.
What is the molecular weight of RefChem:318743?
The molecular weight of RefChem:318743 is 408.18 g/mol.
Where can I buy RefChem:318743?
You can request a quote for RefChem:318743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318743?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.