RefChem:1053861
TL;DR: RefChem:1053861 (CAS 41457-12-9) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride
Also Known As: 1-Azetidineethanol, alpha-((2,6-dimethylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloride, 1-(2,6-dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride, alpha-((2,6-Dimethylphenoxy)methyl)-2,2,4,4-tetramethyl-1-azetidineethanol hydrochloride, 1-(2,6-Dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1), RefChem:1053861
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 41457-12-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(C[NH+]2C(CC2(C)C)(C)C)O.[Cl-] |
| InChIKey | IOAIVQXWYZTQMB-UHFFFAOYSA-N |
Product Overview
RefChem:1053861 (CAS 41457-12-9), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: 1-(2,6-dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride.
Chemical Property Profile of RefChem:1053861
Property Insights of RefChem:1053861
The XLogP value of -1.11 indicates that RefChem:1053861 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, RefChem:1053861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053861 has 2 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:1053861?
The CAS number of RefChem:1053861 is 41457-12-9.
What is the molecular formula of RefChem:1053861?
The molecular formula of RefChem:1053861 is C18H30ClNO2.
What is the molecular weight of RefChem:1053861?
The molecular weight of RefChem:1053861 is 327.20 g/mol.
Where can I buy RefChem:1053861?
You can request a quote for RefChem:1053861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.