1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)
TL;DR: 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) (CAS 17282-40-5) is a chemical compound with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)
ethyl 2-pyridin-1-ium-1-ylacetate bromide
Also Known As: 1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide, 1-(2-ethoxy-2-oxoethyl)pyridinium bromide, Boc-Dipropylglycine, Pyridinium, bromide, Carbethoxymethylpyridinium bromide
| Molecular Formula | C9H12BrNO2 |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | -2.46 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.00514 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 17282-40-5 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC=C1.[Br-] |
| InChIKey | PXBOIFNOMWXDFC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) (CAS 17282-40-5), with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol. IUPAC: ethyl 2-pyridin-1-ium-1-ylacetate bromide.
Chemical Property Profile of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)
Property Insights of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)
The XLogP value of -2.46 indicates that 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) has 0 hydrogen bond donor(s) and 3 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 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)?
The CAS number of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) is 17282-40-5.
What is the molecular formula of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)?
The molecular formula of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) is C9H12BrNO2.
What is the molecular weight of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)?
The molecular weight of 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) is 245.01 g/mol.
Where can I buy 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)?
You can request a quote for 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-乙氧基-2-氧代乙基)吡啶溴化物(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.