RefChem:314438
TL;DR: RefChem:314438 (CAS 86745-95-1) is a chemical compound with molecular formula C24H34BrCl2N3O2 and molecular weight 545.12 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-(2-methylphenyl)piperazin-1-yl]propyl]acetamide;dihydrochloride
Also Known As: N-(3-(4-(2-Tolyl)piperazino)propyl)-4-bromo-3,5-dimethylphenoxyacetamide dihydrochloride, 2-(4-Bromo-3,5-dimethylphenoxy)-N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)acetamide 2HCl, Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride, (4-Bromo-3,5-dimethylphenoxy)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}ethanimidic acid--hydrogen chloride (1/2), 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide dihydrochloride
| Molecular Formula | C24H34BrCl2N3O2 |
|---|---|
| Molecular Weight | 545.12 g/mol |
| LogP | 4.93 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.12115 |
| Heavy Atoms | 32 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 86745-95-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)COC3=CC(=C(C(=C3)C)Br)C.Cl.Cl |
| InChIKey | JLBQAXCNOSDOLP-UHFFFAOYSA-N |
Product Overview
RefChem:314438 (CAS 86745-95-1), with molecular formula C24H34BrCl2N3O2 and molecular weight 545.12 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide;dihydrochloride.
Chemical Property Profile of RefChem:314438
Property Insights of RefChem:314438
The XLogP value of 4.93 indicates that RefChem:314438 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:314438 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314438 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:314438?
The CAS number of RefChem:314438 is 86745-95-1.
What is the molecular formula of RefChem:314438?
The molecular formula of RefChem:314438 is C24H34BrCl2N3O2.
What is the molecular weight of RefChem:314438?
The molecular weight of RefChem:314438 is 545.12 g/mol.
Where can I buy RefChem:314438?
You can request a quote for RefChem:314438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.