RefChem:318714
TL;DR: RefChem:318714 (CAS 63977-41-3) is a chemical compound with molecular formula C20H27IN2 and molecular weight 422.1219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl-trimethylazanium iodide
Also Known As: KST-1B6985, (2-(10',11'-Dihydro-5'H-azepin-5'-yl)-1-methyl) ethyltrimethylammonium iodide, 1-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n,n,n-trimethylpropan-2-aminium iodide, Ammonium, (2-(10',11'-dihydro-5'H-azepin-5'-yl)-1-methyl) ethyltrimethyl-, iodide, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl-trimethylazanium iodide
Technical Specifications
| Molecular Formula | C20H27IN2 |
| Molecular Weight | 422.1219 g/mol |
| XLogP | 1.02 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.1219 Da |
| Heavy Atoms | 23 |
| Complexity | 335.0 |
| SMILES | CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)[N+](C)(C)C.[I-] |
| InChIKey | GDDZHRPTHKQOIP-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:318714
Property Insights of RefChem:318714
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318714. With a topological polar surface area (TPSA) of 3.2 Ų, RefChem:318714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318714 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
What is the CAS number of RefChem:318714?
The CAS number of RefChem:318714 is 63977-41-3.
What is the molecular formula of RefChem:318714?
The molecular formula of RefChem:318714 is C20H27IN2.
What is the molecular weight of RefChem:318714?
The molecular weight of RefChem:318714 is 422.1219 g/mol.
Where can I buy RefChem:318714?
You can request a quote for RefChem:318714 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318714?
Yes, CoreyChem provides custom synthesis services for RefChem:318714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.