RefChem:1056056
TL;DR: RefChem:1056056 (CAS 63978-90-5) is a chemical compound with molecular formula C18H19ClN2 and molecular weight 298.1237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-methylazanium chloride
Also Known As: 1-Naphthonitrile, 1,2,3,4-tetrahydro-4-methylamino-1-phenyl-, hydrochloride, (E)-, 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4-(methylamino)-1-phenyl-, hydrochloride, (E)-, trans-1,2,3,4-Tetrahydro-4-cyano-1-methylamino-4-phenylnaphthalene hydrochloride, [(4R)-4-Cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-methylazaniumchloride, [(4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-methylazanium chloride
Technical Specifications
| Molecular Formula | C18H19ClN2 |
| Molecular Weight | 298.1237 g/mol |
| XLogP | -0.47 |
| Topological Polar Surface Area (TPSA) | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.1237 Da |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
| SMILES | C[NH2+]C1CC[C@@](C2=CC=CC=C12)(C#N)C3=CC=CC=C3.[Cl-] |
| InChIKey | LBNGBAZFYRPPDY-MVFUPKDGSA-N |
Chemical Property Profile of RefChem:1056056
Property Insights of RefChem:1056056
The XLogP value of -0.47 indicates that RefChem:1056056 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.4 Ų, RefChem:1056056 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056056 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:1056056?
The CAS number of RefChem:1056056 is 63978-90-5.
What is the molecular formula of RefChem:1056056?
The molecular formula of RefChem:1056056 is C18H19ClN2.
What is the molecular weight of RefChem:1056056?
The molecular weight of RefChem:1056056 is 298.1237 g/mol.
Where can I buy RefChem:1056056?
You can request a quote for RefChem:1056056 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056056?
Yes, CoreyChem provides custom synthesis services for RefChem:1056056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.