N-(4-Pyridinylcarbonyl)alanine ethyl ester
TL;DR: N-(4-Pyridinylcarbonyl)alanine ethyl ester (CAS 99841-37-9) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridine-4-carbonylamino)propanoate
Also Known As: Ethyl N-(pyridine-4-carbonyl)alaninate, N-(4-Pyridinylcarbonyl)alanine ethyl ester, ethyl 2-(pyridine-4-carbonylamino)propanoate
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 99841-37-9 |
|---|---|
| SMILES | CCOC(=O)C(C)NC(=O)C1=CC=NC=C1 |
| InChIKey | OMNZAFIEVKWOTO-UHFFFAOYSA-N |
Product Overview
N-(4-Pyridinylcarbonyl)alanine ethyl ester (CAS 99841-37-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: ethyl 2-(pyridine-4-carbonylamino)propanoate.
Chemical Property Profile of N-(4-Pyridinylcarbonyl)alanine ethyl ester
Property Insights of N-(4-Pyridinylcarbonyl)alanine ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Pyridinylcarbonyl)alanine ethyl ester. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Pyridinylcarbonyl)alanine ethyl ester. Following Lipinski's Rule of Five, N-(4-Pyridinylcarbonyl)alanine 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 N-(4-Pyridinylcarbonyl)alanine ethyl ester?
The CAS number of N-(4-Pyridinylcarbonyl)alanine ethyl ester is 99841-37-9.
What is the molecular formula of N-(4-Pyridinylcarbonyl)alanine ethyl ester?
The molecular formula of N-(4-Pyridinylcarbonyl)alanine ethyl ester is C11H14N2O3.
What is the molecular weight of N-(4-Pyridinylcarbonyl)alanine ethyl ester?
The molecular weight of N-(4-Pyridinylcarbonyl)alanine ethyl ester is 222.10 g/mol.
Where can I buy N-(4-Pyridinylcarbonyl)alanine ethyl ester?
You can request a quote for N-(4-Pyridinylcarbonyl)alanine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Pyridinylcarbonyl)alanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Pyridinylcarbonyl)alanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.