RefChem:373380
TL;DR: RefChem:373380 (CAS 4034-11-1) is a chemical compound with molecular formula C17H24BrCl2NO2 and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-1-methylpiperidin-1-ium bromide
Also Known As: H.C. 6021, 1-((3-((2,4-Dichlorophenoxy)methyl)-3-oxetanyl)methyl)-1-methylpiperidinium bromide, Piperidinium, 1-((3-((2,4-dichlorophenoxy)methyl)-3-oxetanyl)methyl)-1-methyl-, bromide, 1-({3-[(2,4-Dichlorophenoxy)methyl]oxetan-3-yl}methyl)-1-methylpiperidin-1-ium bromide, 1-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-1-methylpiperidin-1-ium bromide
| Molecular Formula | C17H24BrCl2NO2 |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 1.0233 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.03674 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 4034-11-1 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CC2(COC2)COC3=C(C=C(C=C3)Cl)Cl.[Br-] |
| InChIKey | SLTUOWAIDSOCIC-UHFFFAOYSA-M |
Product Overview
RefChem:373380 (CAS 4034-11-1), with molecular formula C17H24BrCl2NO2 and molecular weight 423.04 g/mol. IUPAC: 1-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-1-methylpiperidin-1-ium bromide.
Chemical Property Profile of RefChem:373380
Property Insights of RefChem:373380
The XLogP value of 1.0233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373380. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:373380 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373380 has 0 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:373380?
The CAS number of RefChem:373380 is 4034-11-1.
What is the molecular formula of RefChem:373380?
The molecular formula of RefChem:373380 is C17H24BrCl2NO2.
What is the molecular weight of RefChem:373380?
The molecular weight of RefChem:373380 is 423.04 g/mol.
Where can I buy RefChem:373380?
You can request a quote for RefChem:373380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373380?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.