Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)
TL;DR: Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) (CAS 40405-75-2) is a chemical compound with molecular formula C12H12BrNO and molecular weight 265.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-ol bromide
Also Known As: 1-Benzyl-3-hydroxypyridinium bromide, N-Benzyl-3-hydroxypyridinium bromide, 1-benzyl-3-hydroxypyridin-1-ium bromide, 1-benzylpyridin-1-ium-3-ol;bromide, Pyridinium, 1-benzyl-3-hydroxy-, bromide
| Molecular Formula | C12H12BrNO |
|---|---|
| Molecular Weight | 265.01 g/mol |
| LogP | -1.268 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.01022 |
| Heavy Atoms | 15 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 40405-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-] |
| InChIKey | JIOVVLHSCLWWBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) (CAS 40405-75-2), with molecular formula C12H12BrNO and molecular weight 265.01 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-ol bromide.
Chemical Property Profile of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)
Property Insights of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)
The XLogP value of -1.268 indicates that Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) 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 Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)?
The CAS number of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) is 40405-75-2.
What is the molecular formula of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)?
The molecular formula of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) is C12H12BrNO.
What is the molecular weight of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)?
The molecular weight of Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) is 265.01 g/mol.
Where can I buy Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)?
You can request a quote for Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.