RefChem:1060729
TL;DR: RefChem:1060729 (CAS 15057-50-8) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylethyl]-dimethylazanium chloride
Also Known As: N,N-Dimethyl-alpha-phenyl-1,4-benzodioxan-6-ethylamine hydrochloride, 1,4-BENZODIOXAN-6-ETHYLAMINE, N,N-DIMETHYL-alpha-PHENYL-, HYDROCHLORIDE, [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylethyl]-dimethylazanium chloride, 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N,N-dimethyl-1-phenylethan-1-amine--hydrogen chloride (1/1), RefChem:1060729
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 15057-50-8 |
|---|---|
| SMILES | C[NH+](C)C(CC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3.[Cl-] |
| InChIKey | WPSBBVYUJIHVCZ-UHFFFAOYSA-N |
Product Overview
RefChem:1060729 (CAS 15057-50-8), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylethyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1060729
Property Insights of RefChem:1060729
The XLogP value of -1.11 indicates that RefChem:1060729 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:1060729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060729 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:1060729?
The CAS number of RefChem:1060729 is 15057-50-8.
What is the molecular formula of RefChem:1060729?
The molecular formula of RefChem:1060729 is C18H22ClNO2.
What is the molecular weight of RefChem:1060729?
The molecular weight of RefChem:1060729 is 319.13 g/mol.
Where can I buy RefChem:1060729?
You can request a quote for RefChem:1060729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.