RefChem:318742
TL;DR: RefChem:318742 (CAS 66902-65-6) is a chemical compound with molecular formula C22H35BrN2O and molecular weight 422.19 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-hexyl-dimethylazanium bromide
Also Known As: Dinitro-cyan-essigsaeure-methylester, (2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylhexylammonium bromide, Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethylhexyl-, bromide, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-hexyl-dimethylazanium bromide, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-hexyl-dimethylazanium,bromide
| Molecular Formula | C22H35BrN2O |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.19327 |
| Heavy Atoms | 26 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 66902-65-6 |
|---|---|
| SMILES | CCCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C.[Br-] |
| InChIKey | NJEWIYFJKWEUEN-UHFFFAOYSA-M |
Product Overview
RefChem:318742 (CAS 66902-65-6), with molecular formula C22H35BrN2O and molecular weight 422.19 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-hexyl-dimethylazanium bromide.
Chemical Property Profile of RefChem:318742
Property Insights of RefChem:318742
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318742. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:318742 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318742 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:318742?
The CAS number of RefChem:318742 is 66902-65-6.
What is the molecular formula of RefChem:318742?
The molecular formula of RefChem:318742 is C22H35BrN2O.
What is the molecular weight of RefChem:318742?
The molecular weight of RefChem:318742 is 422.19 g/mol.
Where can I buy RefChem:318742?
You can request a quote for RefChem:318742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318742?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.