[email protected]
CAS 94155-78-9 3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]benzenamine molecular structure lightbox
CAS RN: 94155-78-9

3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]benzenamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS94155-78-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

94155-78-9 / 3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]aniline

Standard CAS: 94155-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94155-78-9
Multi CAS
No
Molecular Formula
C14F3H12NOS
Molecular Weight
299.310000
Exact Mass
299.059170
InChI
InChI=1S/C14H12F3NOS/c1-9-8-10(18)2-7-13(9)19-11-3-5-12(6-4-11)20-14(15,16)17/h2-8H,18H2,1H3
InChIKey
CEDIWROIAKCJKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.02
TPSA
35.25

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
4.9
Consensus LogP
4.76
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us