CAS RN: 407-91-0
6-(N-TRIFLUOROACETYL)AMINOCAPROIC ACID
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.20251208 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS407-91-0
- Purity/Analytical Methods: >99.0%
407-91-0 / 6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
Basic Information
CAS
407-91-0
Multi CAS
No
Molecular Formula
C8F3H12NO3
Molecular Weight
227.180000
Exact Mass
227.076928
InChI
InChI=1S/C8H12F3NO3/c9-8(10,11)7(15)12-5-3-1-2-4-6(13)14/h1-5H2,(H,12,15)(H,13,14)
InChIKey
FGUZMCXMRNWZPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.17
TPSA
66.4
LogP / Solubility
WLOGP
1.31
MLOGP
1.16
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 421-82-9
- Product Code: starshine_CAS421-82-9
- Purity/Analytical method: >99.0%
