RefChem:318625
TL;DR: RefChem:318625 (CAS 4034-08-6) is a chemical compound with molecular formula C14H20BrCl2NO2 and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
Also Known As: HC 6017, ((3-((2,4-Dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethylammonium bromide, 3-Oxetanemethanaminium, 3-((2,4-dichlorophenoxy)methyl)-N,N,N-trimethyl-, bromide, Ammonium, ((3-((2,4-dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide, [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazaniumbromide
| Molecular Formula | C14H20BrCl2NO2 |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.00546 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 4034-08-6 |
|---|---|
| SMILES | C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl.[Br-] |
| InChIKey | RJZCYSOGZHSHDF-UHFFFAOYSA-M |
Product Overview
RefChem:318625 (CAS 4034-08-6), with molecular formula C14H20BrCl2NO2 and molecular weight 383.01 g/mol. IUPAC: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318625
Property Insights of RefChem:318625
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318625. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:318625 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318625 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:318625?
The CAS number of RefChem:318625 is 4034-08-6.
What is the molecular formula of RefChem:318625?
The molecular formula of RefChem:318625 is C14H20BrCl2NO2.
What is the molecular weight of RefChem:318625?
The molecular weight of RefChem:318625 is 383.01 g/mol.
Where can I buy RefChem:318625?
You can request a quote for RefChem:318625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318625?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.