RefChem:314439
TL;DR: RefChem:314439 (CAS 86746-06-7) is a chemical compound with molecular formula C18H30BrCl2N3O2 and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;dihydrochloride
Also Known As: Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)-, hydrochloride, hydrate (1:2:1), 2-(4-Bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)acetamide HCl H2O (1:2:1), 2-(4-Bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamidedihydrochloride, ACETAMIDE, 2-(4-BROMO-3,5-DIMETHYLPHENOXY)-N-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-, 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide dihydrochloride
| Molecular Formula | C18H30BrCl2N3O2 |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 3.04 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.08984 |
| Heavy Atoms | 26 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 86746-06-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Br)C)OCC(=O)NCCCN2CCN(CC2)C.Cl.Cl |
| InChIKey | FORCSLARLRNTDF-UHFFFAOYSA-N |
Product Overview
RefChem:314439 (CAS 86746-06-7), with molecular formula C18H30BrCl2N3O2 and molecular weight 469.09 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;dihydrochloride.
Chemical Property Profile of RefChem:314439
Property Insights of RefChem:314439
The XLogP value of 3.04 indicates that RefChem:314439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, RefChem:314439 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314439 has 3 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:314439?
The CAS number of RefChem:314439 is 86746-06-7.
What is the molecular formula of RefChem:314439?
The molecular formula of RefChem:314439 is C18H30BrCl2N3O2.
What is the molecular weight of RefChem:314439?
The molecular weight of RefChem:314439 is 469.09 g/mol.
Where can I buy RefChem:314439?
You can request a quote for RefChem:314439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314439?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.