RefChem:314437
TL;DR: RefChem:314437 (CAS 86745-99-5) is a chemical compound with molecular formula C16H26BrClN2O2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]ethyl-diethylazanium chloride
Also Known As: 2-(4-Bromo-3,5-dimethylphenoxy)-N-(2-(diethylamino)ethyl)acetamide hydrochloride, Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-(diethylamino)ethyl)-, monohydrochloride, Acetamide,2-(4-bromo-3,5-dimethylphenoxy)-N-(2-(diethylamino)ethyl)-hcl, 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]ethyl-diethylazanium chloride, ACETAMIDE, 2-(4-BROMO-3,5-DIMETHYLPHENOXY)-N-(2-(DIETHYLAMINO)ETHYL)-, MONOHYDRO
| Molecular Formula | C16H26BrClN2O2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.0866 |
| Heavy Atoms | 22 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 86745-99-5 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)COC1=CC(=C(C(=C1)C)Br)C.[Cl-] |
| InChIKey | PMEZVAZKVHRUKM-UHFFFAOYSA-N |
Product Overview
RefChem:314437 (CAS 86745-99-5), with molecular formula C16H26BrClN2O2 and molecular weight 392.09 g/mol. IUPAC: 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:314437
Property Insights of RefChem:314437
The XLogP value of -1.51 indicates that RefChem:314437 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:314437 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314437 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:314437?
The CAS number of RefChem:314437 is 86745-99-5.
What is the molecular formula of RefChem:314437?
The molecular formula of RefChem:314437 is C16H26BrClN2O2.
What is the molecular weight of RefChem:314437?
The molecular weight of RefChem:314437 is 392.09 g/mol.
Where can I buy RefChem:314437?
You can request a quote for RefChem:314437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314437?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.