RefChem:1056878
TL;DR: RefChem:1056878 (CAS 105916-34-5) is a chemical compound with molecular formula C20H29IN2O and molecular weight 440.13245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-hydroxy-3-(N-phenylanilino)propyl]-dimethyl-propan-2-ylazanium iodide
Also Known As: dl-1-(N-Isopropyl-N,N-dimethylamino)-3-diphenylaminopropan-2-ol iodide, (+-)-3-(Diphenylamino)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-1-propanaminium iodide, 1-Propanaminium, 3-(diphenylamino)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide, (+-)-, [2-hydroxy-3-(N-phenylanilino)propyl]-dimethyl-propan-2-ylazanium iodide, 3-(Diphenylamino)-2-hydroxy-N,N-dimethyl-N-(propan-2-yl)propan-1-aminium iodide
Technical Specifications
| Molecular Formula | C20H29IN2O |
| Molecular Weight | 440.13245 g/mol |
| XLogP | 0.6744 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.13245 Da |
| Heavy Atoms | 24 |
| Complexity | 313.0 |
| SMILES | CC(C)[N+](C)(C)CC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O.[I-] |
| InChIKey | UOXQHIMSSMLDDW-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:1056878
Property Insights of RefChem:1056878
The XLogP value of 0.6744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056878. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1056878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056878 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1056878?
The CAS number of RefChem:1056878 is 105916-34-5.
What is the molecular formula of RefChem:1056878?
The molecular formula of RefChem:1056878 is C20H29IN2O.
What is the molecular weight of RefChem:1056878?
The molecular weight of RefChem:1056878 is 440.13245 g/mol.
Where can I buy RefChem:1056878?
You can request a quote for RefChem:1056878 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056878?
Yes, CoreyChem provides custom synthesis services for RefChem:1056878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.