1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine
TL;DR: 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine (CAS 119623-15-3) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-hydroxypropyl)pyridin-1-ium-1-yl]acetate
Also Known As: CHPB, 2-[3-(2-hydroxypropyl)pyridin-1-ium-1-yl]acetate, 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine, [3-(2-Hydroxypropyl)pyridin-1-ium-1-yl]acetate, Pyridinium, 1-(carboxymethyl)-3-(2-hydroxypropyl)-, hydroxide, inner salt
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 119623-15-3 |
|---|---|
| SMILES | CC(CC1=C[N+](=CC=C1)CC(=O)[O-])O |
| InChIKey | XAYKIPCPOCXUBY-UHFFFAOYSA-N |
Product Overview
1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine (CAS 119623-15-3), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 2-[3-(2-hydroxypropyl)pyridin-1-ium-1-yl]acetate.
Chemical Property Profile of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine
Property Insights of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine. Following Lipinski's Rule of Five, 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine 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-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine?
The CAS number of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine is 119623-15-3.
What is the molecular formula of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine?
The molecular formula of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine is C10H13NO3.
What is the molecular weight of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine?
The molecular weight of 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine is 195.09 g/mol.
Where can I buy 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine?
You can request a quote for 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Carboxymethyl)-3-(2-hydroxypropyl)pyridinium betaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.