RefChem:1061048
TL;DR: RefChem:1061048 (CAS 66902-70-3) is a chemical compound with molecular formula C23H29ClN2O and molecular weight 384.20 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-benzyl-dimethylazanium chloride
Also Known As: Benzyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)ammonium chloride, Ammonium, benzyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, chloride, 2-(3-Acetyl-2-methylindolizin-1-yl)propyl-benzyl-dimethylazaniumchloride, 2-(3-Acetyl-2-methylindolizin-1-yl)-N-benzyl-N,N-dimethylpropan-1-aminium chloride, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-benzyl-dimethylazanium chloride
| Molecular Formula | C23H29ClN2O |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.19684 |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 66902-70-3 |
|---|---|
| SMILES | CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CC3=CC=CC=C3)C(=O)C.[Cl-] |
| InChIKey | XOTZLFMRISUFHJ-UHFFFAOYSA-M |
Product Overview
RefChem:1061048 (CAS 66902-70-3), with molecular formula C23H29ClN2O and molecular weight 384.20 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-benzyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1061048
Property Insights of RefChem:1061048
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061048. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:1061048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061048 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:1061048?
The CAS number of RefChem:1061048 is 66902-70-3.
What is the molecular formula of RefChem:1061048?
The molecular formula of RefChem:1061048 is C23H29ClN2O.
What is the molecular weight of RefChem:1061048?
The molecular weight of RefChem:1061048 is 384.20 g/mol.
Where can I buy RefChem:1061048?
You can request a quote for RefChem:1061048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.