RefChem:319219
TL;DR: RefChem:319219 (CAS 100170-93-2) is a chemical compound with molecular formula C19H38BrNO3 and molecular weight 407.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-3-hydroxyhexanoyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxybutyl)cyclohexaneacetate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxybutyl)cyclohexaneacetate, 2-(2-cyclohexyl-3-hydroxyhexanoyl)oxyethyl-diethyl-methylazanium bromide, 2-(2-cyclohexyl-3-hydroxyhexanoyl)oxyethyl-diethyl-methylazanium,bromide, (+-)-diethyl-[2-(erythro-2-cyclohexyl-3-hydroxy-hexanoyloxy)-ethyl]-methyl-ammonium,bromide
| Molecular Formula | C19H38BrNO3 |
|---|---|
| Molecular Weight | 407.20 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 407.20352 |
| Heavy Atoms | 24 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 100170-93-2 |
|---|---|
| SMILES | CCCC(C(C1CCCCC1)C(=O)OCC[N+](C)(CC)CC)O.[Br-] |
| InChIKey | XTXDMMRYKHSJHR-UHFFFAOYSA-M |
Product Overview
RefChem:319219 (CAS 100170-93-2), with molecular formula C19H38BrNO3 and molecular weight 407.20 g/mol. IUPAC: 2-(2-cyclohexyl-3-hydroxyhexanoyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of RefChem:319219
Property Insights of RefChem:319219
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319219. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319219 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319219 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:319219?
The CAS number of RefChem:319219 is 100170-93-2.
What is the molecular formula of RefChem:319219?
The molecular formula of RefChem:319219 is C19H38BrNO3.
What is the molecular weight of RefChem:319219?
The molecular weight of RefChem:319219 is 407.20 g/mol.
Where can I buy RefChem:319219?
You can request a quote for RefChem:319219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319219?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.