3-(三氟乙酰氨基)丙酸
TL;DR: 3-(三氟乙酰氨基)丙酸 (CAS 51012-31-8) is a chemical compound with molecular formula C5H6F3NO3 and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(三氟乙酰氨基)丙酸
3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Also Known As: N-Trifluoroacetyl-b-alanine, 3-(2,2,2-Trifluoroacetamido)propanoic acid, 3-(trifluoroacetamido)propanoic acid, N-trifluoroacetyl-beta-alanine, n-(trifluoroacetyl)-
| Molecular Formula | C5H6F3NO3 |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.02998 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 51012-31-8 |
|---|---|
| SMILES | C(CNC(=O)C(F)(F)F)C(=O)O |
| InChIKey | CHQZKOJTYLNXPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(三氟乙酰氨基)丙酸 (CAS 51012-31-8), with molecular formula C5H6F3NO3 and molecular weight 185.03 g/mol. IUPAC: 3-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
Chemical Property Profile of 3-(三氟乙酰氨基)丙酸
Property Insights of 3-(三氟乙酰氨基)丙酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(三氟乙酰氨基)丙酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(三氟乙酰氨基)丙酸. Following Lipinski's Rule of Five, 3-(三氟乙酰氨基)丙酸 has 2 hydrogen bond donor(s) and 6 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-(三氟乙酰氨基)丙酸?
The CAS number of 3-(三氟乙酰氨基)丙酸 is 51012-31-8.
What is the molecular formula of 3-(三氟乙酰氨基)丙酸?
The molecular formula of 3-(三氟乙酰氨基)丙酸 is C5H6F3NO3.
What is the molecular weight of 3-(三氟乙酰氨基)丙酸?
The molecular weight of 3-(三氟乙酰氨基)丙酸 is 185.03 g/mol.
Where can I buy 3-(三氟乙酰氨基)丙酸?
You can request a quote for 3-(三氟乙酰氨基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(三氟乙酰氨基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(三氟乙酰氨基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.