beta-Alanine, N-(2-chloronicotinoyl)-
TL;DR: beta-Alanine, N-(2-chloronicotinoyl)- (CAS 76980-22-8) is a chemical compound with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloropyridine-3-carbonyl)amino]propanoic acid
Also Known As: beta-ALANINE, N-(2-CHLORONICOTINOYL)-, N-(2-Chloronicotinoyl)-beta-alanine, N-(2-Chloronicotinoyl)-gamma-aminopropionic acid, 3-[(2-chloropyridin-3-yl)formamido]propanoic acid, 3-[(2-chloropyridine-3-carbonyl)amino]propanoic acid
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 76980-22-8 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)NCCC(=O)O |
| InChIKey | BKNIXAGNUBETPN-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(2-chloronicotinoyl)- (CAS 76980-22-8), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: 3-[(2-chloropyridine-3-carbonyl)amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(2-chloronicotinoyl)-
Property Insights of beta-Alanine, N-(2-chloronicotinoyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(2-chloronicotinoyl)-. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(2-chloronicotinoyl)-. Following Lipinski's Rule of Five, beta-Alanine, N-(2-chloronicotinoyl)- has 2 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 beta-Alanine, N-(2-chloronicotinoyl)-?
The CAS number of beta-Alanine, N-(2-chloronicotinoyl)- is 76980-22-8.
What is the molecular formula of beta-Alanine, N-(2-chloronicotinoyl)-?
The molecular formula of beta-Alanine, N-(2-chloronicotinoyl)- is C9H9ClN2O3.
What is the molecular weight of beta-Alanine, N-(2-chloronicotinoyl)-?
The molecular weight of beta-Alanine, N-(2-chloronicotinoyl)- is 228.03 g/mol.
Where can I buy beta-Alanine, N-(2-chloronicotinoyl)-?
You can request a quote for beta-Alanine, N-(2-chloronicotinoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(2-chloronicotinoyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-chloronicotinoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.