Propanoic acid, 3-amino-2-methyl, butyl ester, TFA
TL;DR: Propanoic acid, 3-amino-2-methyl, butyl ester, TFA (CAS 54986-69-5) is a chemical compound with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: Propanoic acid, 3-amino-2-methyl, butyl ester, TFA, 2-Methyl-N-(trifluoroacetyl)-beta-alanine butyl ester, Butyl 2-methyl-3-[(trifluoroacetyl)amino]propanoate, butyl 2-methyl-3-(2,2,2-trifluoroacetamido)propanoate, butyl 2-methyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate
| Molecular Formula | C10H16F3NO3 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.10823 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 54986-69-5 |
|---|---|
| SMILES | CCCCOC(=O)C(C)CNC(=O)C(F)(F)F |
| InChIKey | JKIYRYDLTOXQAQ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-amino-2-methyl, butyl ester, TFA (CAS 54986-69-5), with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol. IUPAC: butyl 2-methyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA
Property Insights of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-amino-2-methyl, butyl ester, TFA. With a topological polar surface area (TPSA) of 55.4 Ų, Propanoic acid, 3-amino-2-methyl, butyl ester, TFA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-amino-2-methyl, butyl ester, TFA has 1 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 Propanoic acid, 3-amino-2-methyl, butyl ester, TFA?
The CAS number of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA is 54986-69-5.
What is the molecular formula of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA?
The molecular formula of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA is C10H16F3NO3.
What is the molecular weight of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA?
The molecular weight of Propanoic acid, 3-amino-2-methyl, butyl ester, TFA is 255.11 g/mol.
Where can I buy Propanoic acid, 3-amino-2-methyl, butyl ester, TFA?
You can request a quote for Propanoic acid, 3-amino-2-methyl, butyl ester, TFA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-amino-2-methyl, butyl ester, TFA?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-amino-2-methyl, butyl ester, TFA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.