Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-
TL;DR: Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- (CAS 30544-58-2) is a chemical compound with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[N-acetyl-3-(trifluoromethyl)anilino]butanoic acid
Also Known As: BUTYRIC ACID, 4-(N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)ACETAMIDO)-, N-Acetyl-gamma-(m-trifluormethylanilino)-buttersaeure, N-Acetyl-gamma-(m-trifluormethylanilino)-buttersaeure [German], 4-(N-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetamido)butyric acid, 4-[Acetyl-[3-(Trifluoromethyl)Phenyl]Amino]Butanoic Acid
| Molecular Formula | C13H14F3NO3 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0926 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 30544-58-2 |
|---|---|
| SMILES | CC(=O)N(CCCC(=O)O)C1=CC=CC(=C1)C(F)(F)F |
| InChIKey | BHYIIPMHZNLRTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- (CAS 30544-58-2), with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol. IUPAC: 4-[N-acetyl-3-(trifluoromethyl)anilino]butanoic acid.
Chemical Property Profile of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-
Property Insights of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-. With a topological polar surface area (TPSA) of 57.6 Ų, Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- 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 Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-?
The CAS number of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- is 30544-58-2.
What is the molecular formula of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-?
The molecular formula of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- is C13H14F3NO3.
What is the molecular weight of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-?
The molecular weight of Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- is 289.09 g/mol.
Where can I buy Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-?
You can request a quote for Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-(N-(alpha,alpha,alpha-trifluoro-m-tolyl)acetamido)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.