3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester
TL;DR: 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester (CAS 676563-15-8) 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.
ethyl 3-hydroxy-3-pyridin-4-ylpropanoate
Also Known As: ethyl 3-hydroxy-3-(4-pyridyl)propionate, Ethyl 3-hydroxy-3-pyridin-4-yl-propanoate, Ethyl 3-hydroxy-3-(pyridin-4-yl)propanoate, J2.331.673K, 3-hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.0682 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 286.6784 |
Chemical Identifiers
| CAS Number | 676563-15-8 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=NC=C1)O |
Product Overview
3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester (CAS 676563-15-8), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: ethyl 3-hydroxy-3-pyridin-4-ylpropanoate.
Chemical Property Profile of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester
Property Insights of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester
The XLogP value of 1.0682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester. With a topological polar surface area (TPSA) of 59.42 Ų, 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester has 1 hydrogen bond donor(s) and 4 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 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester?
The CAS number of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester is 676563-15-8.
What is the molecular formula of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester?
The molecular formula of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester is C10H13NO3.
What is the molecular weight of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester?
The molecular weight of 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester is 195.09 g/mol.
Where can I buy 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester?
You can request a quote for 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-(pyridin-4-yl)propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.