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RefChem:1059770 structure
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RefChem:1059770

TL;DR: RefChem:1059770 (CAS 63981-65-7) is a chemical compound with molecular formula C11H18BrNO and molecular weight 259.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2-hydroxy-3,5-dimethylphenyl)-trimethylazanium bromide

Also Known As: Ro 2-3560, 2-Hydroxy-3,5-dimethylphenyl trimethylammonium bromide, (2-hydroxy-3,5-dimethylphenyl)-trimethylazanium bromide, AMMONIUM, (2-HYDROXY-3,5-DIMETHYLPHENYL)TRIMETHYL-, BROMIDE, (2-hydroxy-3,5-dimethylphenyl)-trimethylazanium,bromide

CAS Number
63981-65-7
Molecular Formula
C11H18BrNO
Molecular Weight
259.0572 g/mol
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Technical Specifications

Molecular FormulaC11H18BrNO
Molecular Weight259.0572 g/mol
XLogP-0.79
Topological Polar Surface Area (TPSA)20.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds1
Exact Mass259.0572 Da
Heavy Atoms14
Complexity173.0
SMILESCC1=CC(=C(C(=C1)[N+](C)(C)C)O)C.[Br-]
InChIKeyUCJMBBZBOFQKOW-UHFFFAOYSA-N

Chemical Property Profile of RefChem:1059770

XLogP
-0.79
TPSA (Topological Polar Surface Area)
20.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
14
Complexity
173.0
Exact Mass
259.0572
Monoisotopic Mass
259.0572
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:1059770

The XLogP value of -0.79 indicates that RefChem:1059770 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:1059770 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059770 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

What is the CAS number of RefChem:1059770?

The CAS number of RefChem:1059770 is 63981-65-7.

What is the molecular formula of RefChem:1059770?

The molecular formula of RefChem:1059770 is C11H18BrNO.

What is the molecular weight of RefChem:1059770?

The molecular weight of RefChem:1059770 is 259.0572 g/mol.

Where can I buy RefChem:1059770?

You can request a quote for RefChem:1059770 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:1059770?

Yes, CoreyChem provides custom synthesis services for RefChem:1059770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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