CAS RN: 1287211-10-2
(5S)-5-(trifluoroMethyl)-2-Pyrrolidinone
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.20250112 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1287211-10-2
- Purity/Analytical Methods: >99.0%
1287211-10-2 / (5S)-5-(trifluoromethyl)pyrrolidin-2-one
Basic Information
CAS
1287211-10-2
Multi CAS
No
Molecular Formula
C5H6F3NO
Molecular Weight
153.100000
Exact Mass
153.040148
SMILES
C1CC(=O)N[C@@H]1C(F)(F)F
InChI
InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m0/s1
InChIKey
BKONNPBZAYHNOV-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.22
TPSA
29.1
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
(6-Bromopyridin-2-yl)(cyclopropyl)methanone
- CAS RN: 1287217-34-8
- Product Code: SSC-035924
-
4-(5-Fluoropyridin-2-yl)morpholine
- CAS RN: 1287217-51-9
- Product Code: starshine_CAS1287217-51-9
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-oxooctahydroquinoline-1(2H)-carboxylate
- CAS RN: 1287218-20-5
- Product Code: SSC-035925
-
Eucamalduside A
- CAS RN: 1287220-29-4
- Product Code: starshine_CAS1287220-29-4
- Purity/Analytical method: >99.0%
-
2-(3-Iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
- CAS RN: 1287221-37-7
- Product Code: starshine_CAS1287221-37-7
- Purity/Analytical method: >99.0%
-
DPPF RuCl2 AMPY
- CAS RN: 1287255-62-2
- Product Code: starshine_CAS1287255-62-2
- Purity/Analytical method: >99.0%
