RefChem:1052899
TL;DR: RefChem:1052899 (CAS 1031-38-5) is a chemical compound with molecular formula C16H26BrNO3 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
Also Known As: HC 1576, ((5-(Hydroxymethyl)-2-methyl-2-phenyl-m-dioxan-5-yl)methyl)trimethylammonium bromide, [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide, Ammonium, ((5-(hydroxymethyl)-2-methyl-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide, stereoisomer, [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C16H26BrNO3 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.10962 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 1031-38-5 |
|---|---|
| SMILES | CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-] |
| InChIKey | ZXAOAWDGSZABDD-UHFFFAOYSA-M |
Product Overview
RefChem:1052899 (CAS 1031-38-5), with molecular formula C16H26BrNO3 and molecular weight 359.11 g/mol. IUPAC: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:1052899
Property Insights of RefChem:1052899
The XLogP value of -1.4 indicates that RefChem:1052899 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, RefChem:1052899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1052899 has 1 hydrogen bond donor(s) and 4 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:1052899?
The CAS number of RefChem:1052899 is 1031-38-5.
What is the molecular formula of RefChem:1052899?
The molecular formula of RefChem:1052899 is C16H26BrNO3.
What is the molecular weight of RefChem:1052899?
The molecular weight of RefChem:1052899 is 359.11 g/mol.
Where can I buy RefChem:1052899?
You can request a quote for RefChem:1052899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.