RefChem:1054017
TL;DR: RefChem:1054017 (CAS 41457-11-8) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride
Also Known As: 1-Azetidineethanol, alpha-((2-methylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloride, 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride, 1-Azetidineethanol, 2,2,4,4-tetramethyl-alpha-((o-tolyloxy)methyl)-, hydrochloride, alpha-((2-Methylphenoxy)methyl)-2,2,4,4-tetramethyl-1-azetidineethanol hydrochloride, 1-(2-Methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | -1.42 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 41457-11-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(C[NH+]2C(CC2(C)C)(C)C)O.[Cl-] |
| InChIKey | IEPDOCKKWQIIMZ-UHFFFAOYSA-N |
Product Overview
RefChem:1054017 (CAS 41457-11-8), with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol. IUPAC: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride.
Chemical Property Profile of RefChem:1054017
Property Insights of RefChem:1054017
The XLogP value of -1.42 indicates that RefChem:1054017 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:1054017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054017 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:1054017?
The CAS number of RefChem:1054017 is 41457-11-8.
What is the molecular formula of RefChem:1054017?
The molecular formula of RefChem:1054017 is C17H28ClNO2.
What is the molecular weight of RefChem:1054017?
The molecular weight of RefChem:1054017 is 313.18 g/mol.
Where can I buy RefChem:1054017?
You can request a quote for RefChem:1054017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054017?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.