Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-
TL;DR: Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- (CAS 39219-30-2) is a chemical compound with molecular formula C13H10F3N3O4 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: carbonic acid bis-(2-allyloxy-ethyl ester), BUTANOIC ACID, 4-((4-CYANOPHENYL)AMINO)-4-OXO-3-((TRIFLUOROACETYL)AMINO)-, (S)-, L-4'-Cyano-3-(2,2,2-trifluoroacetamido)succinanilic acid, (S)-4-((4-Cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid, N-(4-Cyanophenyl)-N~2~-(trifluoroacetyl)-L-alpha-asparagine
| Molecular Formula | C13H10F3N3O4 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.06235 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 39219-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F |
| InChIKey | KIGAPXNVLOREBY-VIFPVBQESA-N |
Product Overview
Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- (CAS 39219-30-2), with molecular formula C13H10F3N3O4 and molecular weight 329.06 g/mol. IUPAC: (3S)-4-(4-cyanoanilino)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
Chemical Property Profile of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-
Property Insights of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-. Following Lipinski's Rule of Five, Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- has 3 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 Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-?
The CAS number of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- is 39219-30-2.
What is the molecular formula of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-?
The molecular formula of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- is C13H10F3N3O4.
What is the molecular weight of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-?
The molecular weight of Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- is 329.06 g/mol.
Where can I buy Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-?
You can request a quote for Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((4-cyanophenyl)amino)-4-oxo-3-((trifluoroacetyl)amino)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.