RefChem:1056055
TL;DR: RefChem:1056055 (CAS 52454-09-8) is a chemical compound with molecular formula C19H21ClN2 and molecular weight 312.1393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride
Also Known As: 1-Naphthonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (Z)-, [(1R,4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride, 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (Z)-, cis-1,2,3,4-Tetrahydro-4-cyano-1-dimethylamino-4-phenylnaphthalene hydrochloride, 1-Naphthonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (E)-
Technical Specifications
| Molecular Formula | C19H21ClN2 |
| Molecular Weight | 312.1393 g/mol |
| XLogP | -0.52 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.1393 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | C[NH+](C)[C@@H]1CC[C@@](C2=CC=CC=C12)(C#N)C3=CC=CC=C3.[Cl-] |
| InChIKey | KXEHYHACSHCZFC-STYNFMPRSA-N |
Chemical Property Profile of RefChem:1056055
Property Insights of RefChem:1056055
The XLogP value of -0.52 indicates that RefChem:1056055 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.2 Ų, RefChem:1056055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056055 has 1 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:1056055?
The CAS number of RefChem:1056055 is 52454-09-8.
What is the molecular formula of RefChem:1056055?
The molecular formula of RefChem:1056055 is C19H21ClN2.
What is the molecular weight of RefChem:1056055?
The molecular weight of RefChem:1056055 is 312.1393 g/mol.
Where can I buy RefChem:1056055?
You can request a quote for RefChem:1056055 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056055?
Yes, CoreyChem provides custom synthesis services for RefChem:1056055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.