[email protected]
CAS 70842-04-5 5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin molecular structure lightbox
CAS RN: 70842-04-5

5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70842-04-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

70842-04-5 / 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

Standard CAS: 70842-04-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70842-04-5
Multi CAS
Yes
Molecular Formula
C12F4H10N2O2
Molecular Weight
290.210000
Exact Mass
290.067840
InChI
InChI=1S/C12H10F4N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20)
InChIKey
BTGSGTWRNQCEQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.5
TPSA
49.41

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
2.3
Consensus LogP
2.45
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us