RefChem:318628
TL;DR: RefChem:318628 (CAS 3804-66-8) is a chemical compound with molecular formula C16H25BrClNO2 and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium bromide
Also Known As: HC 6009, ((3-((p-Chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethylammonium bromide, Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethyl-, bromide, 3-Oxetanemethanaminium, 3-((4-chlorophenoxy)methyl)-N,N-diethyl-N-methyl-, bromide, [3-[(4-Chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazaniumbromide
| Molecular Formula | C16H25BrClNO2 |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.0757 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 3804-66-8 |
|---|---|
| SMILES | CC[N+](C)(CC)CC1(COC1)COC2=CC=C(C=C2)Cl.[Br-] |
| InChIKey | QUCTZNQJRSLAEE-UHFFFAOYSA-M |
Product Overview
RefChem:318628 (CAS 3804-66-8), with molecular formula C16H25BrClNO2 and molecular weight 377.08 g/mol. IUPAC: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium bromide.
Chemical Property Profile of RefChem:318628
Property Insights of RefChem:318628
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318628. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:318628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318628 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:318628?
The CAS number of RefChem:318628 is 3804-66-8.
What is the molecular formula of RefChem:318628?
The molecular formula of RefChem:318628 is C16H25BrClNO2.
What is the molecular weight of RefChem:318628?
The molecular weight of RefChem:318628 is 377.08 g/mol.
Where can I buy RefChem:318628?
You can request a quote for RefChem:318628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.