RefChem:1074686
TL;DR: RefChem:1074686 (CAS 63978-82-5) is a chemical compound with molecular formula C16H21Cl2NO and molecular weight 313.1 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-ethyl-prop-2-ynylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N-ethyl-5-methoxy-N-(2-propynyl)-, hydrochloride, (8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-ethyl-prop-2-ynylazanium chloride, 1-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-8-CHLORO-N-ETHYL-5-METHOXY-N-(2-PROPYNYL)-,, 1-Naphthalenamine, 8-chloro-N-ethyl-1,2,3,4-tetrahydro-5-methoxy-N-2-propynyl-, hydrochloride, 8-Chloro-N-ethyl-5-methoxy-N-(prop-2-yn-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H21Cl2NO |
| Molecular Weight | 313.1 g/mol |
| XLogP | -0.73 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | CC[NH+](CC#C)C1CCCC2=C(C=CC(=C12)Cl)OC.[Cl-] |
| InChIKey | MXFYZUSZBMXXEB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1074686
Property Insights of RefChem:1074686
The XLogP value of -0.73 indicates that RefChem:1074686 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:1074686 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074686 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:1074686?
The CAS number of RefChem:1074686 is 63978-82-5.
What is the molecular formula of RefChem:1074686?
The molecular formula of RefChem:1074686 is C16H21Cl2NO.
What is the molecular weight of RefChem:1074686?
The molecular weight of RefChem:1074686 is 313.1 g/mol.
Where can I buy RefChem:1074686?
You can request a quote for RefChem:1074686 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074686?
Yes, CoreyChem provides custom synthesis services for RefChem:1074686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.