![3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid structure](/static/products/6927/692762-85-9.webp)
3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid
TL;DR: 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid (CAS 692762-85-9) is a chemical compound with molecular formula C12H10F3N3O2 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid
Also Known As: 3-{[2-(trifluoromethyl)quinazolin-4-yl]amino}propanoic acid, 3-((2-(Trifluoromethyl)quinazolin-4-yl)amino)propanoic acid, 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic Acid, N-[2-(trifluoromethyl)-4-quinazolinyl]-beta-alanine, AP-906/43238678
| Molecular Formula | C12H10F3N3O2 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0725 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 692762-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCC(=O)O |
| InChIKey | KOTGFASVBWSAIT-UHFFFAOYSA-N |
Product Overview
3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid (CAS 692762-85-9), with molecular formula C12H10F3N3O2 and molecular weight 285.07 g/mol. IUPAC: 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid.
Chemical Property Profile of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid
Property Insights of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid. Following Lipinski's Rule of Five, 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid has 2 hydrogen bond donor(s) and 8 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-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid?
The CAS number of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid is 692762-85-9.
What is the molecular formula of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid?
The molecular formula of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid is C12H10F3N3O2.
What is the molecular weight of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid?
The molecular weight of 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid is 285.07 g/mol.
Where can I buy 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid?
You can request a quote for 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(Trifluoromethyl)quinazolin-4-yl]amino}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.