RefChem:318692
TL;DR: RefChem:318692 (CAS 66902-88-3) is a chemical compound with molecular formula C23H27Cl3N2O and molecular weight 452.12 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-[(2,4-dichlorophenyl)methyl]-dimethylazanium chloride
Also Known As: Ammonium, (2,4-dichlorobenzyl)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, chloride, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-[(2,4-dichlorophenyl)methyl]-dimethylazanium chloride, AMMONIUM, (2,4-DICHLOROBENZYL)DIMETHYL(2-(3-ACETYL-2-METHYL-1-INDOLIZINYL)-2-MET, 1-Indolizineethanaminium, 3-acetyl-N-[(2,4-dichlorophenyl)methyl]-N,N,.beta.,2-tetramethyl-, chloride, 2-(3-Acetyl-2-methylindolizin-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpropan-1-aminium chloride
| Molecular Formula | C23H27Cl3N2O |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1189 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 66902-88-3 |
|---|---|
| SMILES | CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CC3=C(C=C(C=C3)Cl)Cl)C(=O)C.[Cl-] |
| InChIKey | OSNVOXSAPFOFOC-UHFFFAOYSA-M |
Product Overview
RefChem:318692 (CAS 66902-88-3), with molecular formula C23H27Cl3N2O and molecular weight 452.12 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-[(2,4-dichlorophenyl)methyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:318692
Property Insights of RefChem:318692
The XLogP value of 3.14 indicates that RefChem:318692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:318692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318692 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:318692?
The CAS number of RefChem:318692 is 66902-88-3.
What is the molecular formula of RefChem:318692?
The molecular formula of RefChem:318692 is C23H27Cl3N2O.
What is the molecular weight of RefChem:318692?
The molecular weight of RefChem:318692 is 452.12 g/mol.
Where can I buy RefChem:318692?
You can request a quote for RefChem:318692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.