RefChem:1073089
TL;DR: RefChem:1073089 (CAS 66967-78-0) is a chemical compound with molecular formula C13H22BrNO and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-trimethylazanium bromide
Also Known As: Ro 2-4173, (4-Hydroxy-5-isopropyl-o-tolyl)trimethylammonium bromide, (4-hydroxy-2-methyl-5-propan-2-ylphenyl)-trimethylazanium bromide, AMMONIUM, (4-HYDROXY-5-ISOPROPYL-o-TOLYL)TRIMETHYL-, BROMIDE, 5-Methyl-2-(propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen bromide (1/1)
| Molecular Formula | C13H22BrNO |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 0.02 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.08847 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 66967-78-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)O.[Br-] |
| InChIKey | ZFJLFCUEHGRTEJ-UHFFFAOYSA-N |
Product Overview
RefChem:1073089 (CAS 66967-78-0), with molecular formula C13H22BrNO and molecular weight 287.09 g/mol. IUPAC: (4-hydroxy-2-methyl-5-propan-2-ylphenyl)-trimethylazanium bromide.
Chemical Property Profile of RefChem:1073089
Property Insights of RefChem:1073089
The XLogP value of 0.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073089. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:1073089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073089 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:1073089?
The CAS number of RefChem:1073089 is 66967-78-0.
What is the molecular formula of RefChem:1073089?
The molecular formula of RefChem:1073089 is C13H22BrNO.
What is the molecular weight of RefChem:1073089?
The molecular weight of RefChem:1073089 is 287.09 g/mol.
Where can I buy RefChem:1073089?
You can request a quote for RefChem:1073089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073089?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.