RefChem:1079428
TL;DR: RefChem:1079428 (CAS 69766-14-9) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dimethoxyphenyl)-2-hydroxypropyl]-dimethylazanium chloride
Also Known As: Benzyl alcohol, 2,5-dimethoxy-alpha-(dimethylaminomethyl)-alpha-methyl-, hydrochloride, 2,5-Dimethoxy-alpha-(dimethylaminomethyl)-alpha-methylbenzyl alcohol hydrochloride, [2-(2,5-dimethoxyphenyl)-2-hydroxypropyl]-dimethylazanium chloride, RefChem:1079428
| Molecular Formula | C13H22ClNO3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1288 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 69766-14-9 |
|---|---|
| SMILES | CC(C[NH+](C)C)(C1=C(C=CC(=C1)OC)OC)O.[Cl-] |
| InChIKey | PLNLOCAAVMZUMS-UHFFFAOYSA-N |
Product Overview
RefChem:1079428 (CAS 69766-14-9), with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol. IUPAC: [2-(2,5-dimethoxyphenyl)-2-hydroxypropyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1079428
Property Insights of RefChem:1079428
The XLogP value of -2.94 indicates that RefChem:1079428 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, RefChem:1079428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079428 has 2 hydrogen bond donor(s) and 4 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:1079428?
The CAS number of RefChem:1079428 is 69766-14-9.
What is the molecular formula of RefChem:1079428?
The molecular formula of RefChem:1079428 is C13H22ClNO3.
What is the molecular weight of RefChem:1079428?
The molecular weight of RefChem:1079428 is 275.13 g/mol.
Where can I buy RefChem:1079428?
You can request a quote for RefChem:1079428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.