[email protected]
CAS 39995-50-1 2,2,2-TRIFLUORO-N-[(R)-ALPHA-METHYLBENZYL]ACETAMIDE molecular structure lightbox
CAS RN: 39995-50-1

2,2,2-TRIFLUORO-N-[(R)-ALPHA-METHYLBENZYL]ACETAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39995-50-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

39995-50-1 / 2,2,2-trifluoro-N-(1-phenylethyl)acetamide

Standard CAS: 39995-50-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39995-50-1
Multi CAS
Yes
Molecular Formula
C10F3H10NO
Molecular Weight
217.190000
Exact Mass
217.071448
InChI
InChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1
InChIKey
ZJFCMJDNHPXGBY-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.05
TPSA
29.1

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.6
Consensus LogP
2.39
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us