RefChem:318691
TL;DR: RefChem:318691 (CAS 101699-48-3) is a chemical compound with molecular formula C20H34BrNO2 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium bromide
Also Known As: C 4286, 1-Propanaminium, 2,2-dimethyl-3-((3-methyl-2-phenylvaleryl)oxy)-N,N,N-trimethyl-, bromide, Ammonium, (2,2-dimethyl-3-hydroxypropyl)trimethyl-, bromide, 3-methyl-2-phenylvalarate, (3-Hydroxy-2,2-dimethylpropyl)trimethylammonium bromide, 3-methyl-2-phenylvalerate, [2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium;bromide
| Molecular Formula | C20H34BrNO2 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.17728 |
| Heavy Atoms | 24 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 101699-48-3 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)C[N+](C)(C)C.[Br-] |
| InChIKey | HCFPYCTUHPARQY-UHFFFAOYSA-M |
Product Overview
RefChem:318691 (CAS 101699-48-3), with molecular formula C20H34BrNO2 and molecular weight 399.18 g/mol. IUPAC: [2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium bromide.
Chemical Property Profile of RefChem:318691
Property Insights of RefChem:318691
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318691. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:318691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318691 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:318691?
The CAS number of RefChem:318691 is 101699-48-3.
What is the molecular formula of RefChem:318691?
The molecular formula of RefChem:318691 is C20H34BrNO2.
What is the molecular weight of RefChem:318691?
The molecular weight of RefChem:318691 is 399.18 g/mol.
Where can I buy RefChem:318691?
You can request a quote for RefChem:318691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.