(E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide
TL;DR: (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide (CAS 79134-02-4) is a chemical compound with molecular formula C9H11BrN2O and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1-prop-2-enylpyridin-1-ium-2-yl)methylidene]hydroxylamine bromide
Also Known As: 1-allyl-2-[(hydroxyimino)methyl]pyridinium bromide, (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide, Pyridinium, 2-((hydroxyimino)methyl)-1-(2-propenyl)-, bromide, Pyridinium, 2-[(hydroxyimino)methyl]-1-(2-propenyl)-, bromide
| Molecular Formula | C9H11BrN2O |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | -2.0278 |
| Topological Polar Surface Area | 36.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.00548 |
| Heavy Atoms | 13 |
| Complexity | 299.4211 |
Chemical Identifiers
| CAS Number | 79134-02-4 |
|---|---|
| SMILES | C=CC[N+]1=CC=CC=C1C=NO.[Br-] |
Product Overview
(E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide (CAS 79134-02-4), with molecular formula C9H11BrN2O and molecular weight 242.01 g/mol. IUPAC: N-[(1-prop-2-enylpyridin-1-ium-2-yl)methylidene]hydroxylamine bromide.
Chemical Property Profile of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide
Property Insights of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide
The XLogP value of -2.0278 indicates that (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.47 Ų, (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide 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 (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide?
The CAS number of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide is 79134-02-4.
What is the molecular formula of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide?
The molecular formula of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide is C9H11BrN2O.
What is the molecular weight of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide?
The molecular weight of (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide is 242.01 g/mol.
Where can I buy (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide?
You can request a quote for (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-allyl-2-((hydroxyimino)methyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.