RefChem:314579
TL;DR: RefChem:314579 (CAS 97703-14-5) is a chemical compound with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(2,4-dimethylphenoxy)propan-2-yl-methylamino]-2-oxoethyl]-diethylazanium chloride
Also Known As: C 2058, C-2058, 2-(Diethylamino)-N-methyl-N-(1-(2,4-xylyloxy)-2-propyl)acetamide hydrochloride, Acetamide, 2-(diethylamino)-N-methyl-N-(1-(2,4-xylyloxy)-2-propyl)-, hydrochloride, [2-[1-(2,4-dimethylphenoxy)propan-2-yl-methylamino]-2-oxoethyl]-diethylazanium chloride
| Molecular Formula | C18H31ClN2O2 |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | -1.54 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.2074 |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 97703-14-5 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)N(C)C(C)COC1=C(C=C(C=C1)C)C.[Cl-] |
| InChIKey | XMIVCZYJKQKPBR-UHFFFAOYSA-N |
Product Overview
RefChem:314579 (CAS 97703-14-5), with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol. IUPAC: [2-[1-(2,4-dimethylphenoxy)propan-2-yl-methylamino]-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:314579
Property Insights of RefChem:314579
The XLogP value of -1.54 indicates that RefChem:314579 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:314579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314579 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:314579?
The CAS number of RefChem:314579 is 97703-14-5.
What is the molecular formula of RefChem:314579?
The molecular formula of RefChem:314579 is C18H31ClN2O2.
What is the molecular weight of RefChem:314579?
The molecular weight of RefChem:314579 is 342.21 g/mol.
Where can I buy RefChem:314579?
You can request a quote for RefChem:314579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.