1-(2-Carboxyethyl)pyridin-1-ium bromide
TL;DR: 1-(2-Carboxyethyl)pyridin-1-ium bromide (CAS 19604-98-9) is a chemical compound with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-1-ium-1-ylpropanoic acid bromide
Also Known As: 1-(2-Carboxyethyl)pyridin-1-ium bromide, 3-pyridin-1-ium-1-ylpropanoic acid bromide
| Molecular Formula | C8H10BrNO2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | -2.5472 |
| Topological Polar Surface Area | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.98949 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 19604-98-9 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CCC(=O)O.[Br-] |
| InChIKey | AMKALGCECNMECD-UHFFFAOYSA-N |
Product Overview
1-(2-Carboxyethyl)pyridin-1-ium bromide (CAS 19604-98-9), with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol. IUPAC: 3-pyridin-1-ium-1-ylpropanoic acid bromide.
Chemical Property Profile of 1-(2-Carboxyethyl)pyridin-1-ium bromide
Property Insights of 1-(2-Carboxyethyl)pyridin-1-ium bromide
The XLogP value of -2.5472 indicates that 1-(2-Carboxyethyl)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 41.2 Ų, 1-(2-Carboxyethyl)pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Carboxyethyl)pyridin-1-ium bromide has 1 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-Carboxyethyl)pyridin-1-ium bromide?
The CAS number of 1-(2-Carboxyethyl)pyridin-1-ium bromide is 19604-98-9.
What is the molecular formula of 1-(2-Carboxyethyl)pyridin-1-ium bromide?
The molecular formula of 1-(2-Carboxyethyl)pyridin-1-ium bromide is C8H10BrNO2.
What is the molecular weight of 1-(2-Carboxyethyl)pyridin-1-ium bromide?
The molecular weight of 1-(2-Carboxyethyl)pyridin-1-ium bromide is 230.99 g/mol.
Where can I buy 1-(2-Carboxyethyl)pyridin-1-ium bromide?
You can request a quote for 1-(2-Carboxyethyl)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 1-(2-Carboxyethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxyethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.