RefChem:1056052
TL;DR: RefChem:1056052 (CAS 58782-71-1) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl]-dimethylazanium chloride
Also Known As: 1-Naphthol, 1,2,3,4-tetrahydro-2-dimethylamino-, benzoate, hydrochloride, dl-(E)-, trans-1-Benzoyloxy-2-dimethylamino-1,2,3,4-tetrahydronaphthalene hydrochloride, trans-2-Dimethylamino-1,2,3,4-tetrahydro-1-naphthol benzoate hydrochloride, (+-)-trans-1,2,3,4-Tetrahydro-2-(dimethylamino)-1-naphthol benzoate hydrochloride, [(1R)-1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl]-dimethylazanium chloride
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 58782-71-1 |
|---|---|
| SMILES | C[NH+](C)C1CCC2=CC=CC=C2[C@H]1OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | FTVLIUAUWUINLT-MVFUPKDGSA-N |
Product Overview
RefChem:1056052 (CAS 58782-71-1), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: [(1R)-1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1056052
Property Insights of RefChem:1056052
The XLogP value of -0.95 indicates that RefChem:1056052 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1056052 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056052 has 1 hydrogen bond donor(s) and 3 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:1056052?
The CAS number of RefChem:1056052 is 58782-71-1.
What is the molecular formula of RefChem:1056052?
The molecular formula of RefChem:1056052 is C19H22ClNO2.
What is the molecular weight of RefChem:1056052?
The molecular weight of RefChem:1056052 is 331.13 g/mol.
Where can I buy RefChem:1056052?
You can request a quote for RefChem:1056052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.