RefChem:319214
TL;DR: RefChem:319214 (CAS 66902-92-9) is a chemical compound with molecular formula C22H36BrNO6S and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium;methyl sulfate
Also Known As: Ammonium, diethyl(2-dimethyl-3-hydroxypropyl)methyl-, methyl sulfate, 2-(2-bromoallyl)-2-phenylacetate (ester), [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium; methyl sulfate, AMMONIUM, DIETHYL(2-DIMETHYL-3-HYDROXYPROPYL)METHYL-, METHYL SULFATE, 2-(2-BROMO, 1-Propanaminium, 3-[(4-bromo-1-oxo-2-phenyl-4-pentenyl)oxy]-N,N-diethyl-N,2,2-trimethyl-, methyl sulfate, 3-[(4-bromo-2-phenylpent-4-enoyl)oxy]-N,N-diethyl-N,2,2-trimethylpropan-1-aminium methyl sulfate
| Molecular Formula | C22H36BrNO6S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 521.14465 |
| Heavy Atoms | 31 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 66902-92-9 |
|---|---|
| SMILES | CC[N+](C)(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1.COS(=O)(=O)[O-] |
| InChIKey | LOZDQBCXUFSNNU-UHFFFAOYSA-M |
Product Overview
RefChem:319214 (CAS 66902-92-9), with molecular formula C22H36BrNO6S and molecular weight 521.14 g/mol. IUPAC: [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:319214
Property Insights of RefChem:319214
The XLogP value of 4.22 indicates that RefChem:319214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319214. Following Lipinski's Rule of Five, RefChem:319214 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319214?
The CAS number of RefChem:319214 is 66902-92-9.
What is the molecular formula of RefChem:319214?
The molecular formula of RefChem:319214 is C22H36BrNO6S.
What is the molecular weight of RefChem:319214?
The molecular weight of RefChem:319214 is 521.14 g/mol.
Where can I buy RefChem:319214?
You can request a quote for RefChem:319214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319214?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.