![CAS 251097-65-1 LEUCINE, N-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/251097-65-1.gif)
CAS RN: 251097-65-1
LEUCINE, N-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS251097-65-1
- Purity/Analytical Methods: >99.0%
251097-65-1 / (2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
Basic Information
CAS
251097-65-1
Multi CAS
No
Molecular Formula
C13H16F3NO4S
Molecular Weight
339.330000
Exact Mass
339.075214
SMILES
CC(C)C[C@H](C(=O)O)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C13H16F3NO4S/c1-8(2)6-11(12(18)19)17-22(20,21)10-5-3-4-9(7-10)13(14,15)16/h3-5,7-8,11,17H,6H2,1-2H3,(H,18,19)
InChIKey
PGVOZRMIHHGLDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.64
TPSA
83.47
LogP / Solubility
WLOGP
2.48
MLOGP
2.2
XLogP3
3.1
Consensus LogP
2.59
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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