![ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate structure](/static/products/3328/332874-05-2.webp)
ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate
TL;DR: ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate (CAS 332874-05-2) is a chemical compound with molecular formula C11H13BrN2O3 and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(5-bromopyridine-3-carbonyl)amino]propanoate
Also Known As: ethyl 3-(5-bromonicotinamido)propanoate, ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate, ethyl 3-[(5-bromopyridine-3-carbonyl)amino]propanoate
| Molecular Formula | C11H13BrN2O3 |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 1.5271 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.01096 |
| Heavy Atoms | 17 |
| Complexity | 409.45795 |
Chemical Identifiers
| CAS Number | 332874-05-2 |
|---|---|
| SMILES | CCOC(=O)CCNC(=O)C1=CC(=CN=C1)Br |
Product Overview
ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate (CAS 332874-05-2), with molecular formula C11H13BrN2O3 and molecular weight 300.01 g/mol. IUPAC: ethyl 3-[(5-bromopyridine-3-carbonyl)amino]propanoate.
Chemical Property Profile of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate
Property Insights of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate
The XLogP value of 1.5271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate. Following Lipinski's Rule of Five, ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate 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 ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate?
The CAS number of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate is 332874-05-2.
What is the molecular formula of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate?
The molecular formula of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate is C11H13BrN2O3.
What is the molecular weight of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate?
The molecular weight of ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate is 300.01 g/mol.
Where can I buy ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate?
You can request a quote for ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(5-bromopyridin-3-yl)carbonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.