RefChem:1090568
TL;DR: RefChem:1090568 (CAS 52371-39-8) is a chemical compound with molecular formula C18H22ClN and molecular weight 287.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]azanium chloride
Also Known As: trans-1,2,3,4-Tetrahydro-N,N-dimethyl-4-phenyl-1-naphthylamine hydrochloride, 1-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-N,N-DIMETHYL-4-PHENYL-, HYDROCHLROIDE, (E)-, 1-Naphthalenamine, 1,2,3,4-tetrahydro-N,N-dimethyl-4-phenyl-, hydrochloride, trans-, dimethyl-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]azanium chloride, N,N-Dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C18H22ClN |
|---|---|
| Molecular Weight | 287.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.14407 |
| Heavy Atoms | 20 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 52371-39-8 |
|---|---|
| SMILES | C[NH+](C)[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3.[Cl-] |
| InChIKey | JHCPSTPESOERTA-NKGQWRHHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1090568 (CAS 52371-39-8), with molecular formula C18H22ClN and molecular weight 287.14 g/mol. IUPAC: dimethyl-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]azanium chloride.
Chemical Property Profile of RefChem:1090568
Property Insights of RefChem:1090568
The XLogP value of -0.2 indicates that RefChem:1090568 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1090568 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090568 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1090568?
The CAS number of RefChem:1090568 is 52371-39-8.
What is the molecular formula of RefChem:1090568?
The molecular formula of RefChem:1090568 is C18H22ClN.
What is the molecular weight of RefChem:1090568?
The molecular weight of RefChem:1090568 is 287.14 g/mol.
Where can I buy RefChem:1090568?
You can request a quote for RefChem:1090568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090568?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.