RefChem:115878
TL;DR: RefChem:115878 (CAS 20091-61-6) is a chemical compound with molecular formula C19H40BrNO and molecular weight 377.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium bromide
Also Known As: AZ 2088, Dimethylheptyl(1-hydroxy-p-menth-2-yl)ammonium bromide, Z 2008, Dimethylheptyl(1-hydroxy-p-menth-2-yl)ammonium.Br, heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium;bromide
| Molecular Formula | C19H40BrNO |
|---|---|
| Molecular Weight | 377.23 g/mol |
| LogP | 1.61 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.22934 |
| Heavy Atoms | 22 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 20091-61-6 |
|---|---|
| SMILES | CCCCCCC[N+](C)(C)C1CC(CCC1(C)O)C(C)C.[Br-] |
| InChIKey | IQMNBUIPOJLHLK-UHFFFAOYSA-M |
Product Overview
RefChem:115878 (CAS 20091-61-6), with molecular formula C19H40BrNO and molecular weight 377.23 g/mol. IUPAC: heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium bromide.
Chemical Property Profile of RefChem:115878
Property Insights of RefChem:115878
The XLogP value of 1.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:115878. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:115878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:115878 has 1 hydrogen bond donor(s) and 2 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:115878?
The CAS number of RefChem:115878 is 20091-61-6.
What is the molecular formula of RefChem:115878?
The molecular formula of RefChem:115878 is C19H40BrNO.
What is the molecular weight of RefChem:115878?
The molecular weight of RefChem:115878 is 377.23 g/mol.
Where can I buy RefChem:115878?
You can request a quote for RefChem:115878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:115878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:115878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.