[email protected]
CAS 1206459-86-0 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBONITRILE molecular structure lightbox
CAS RN: 1206459-86-0

4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-021686
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1206459-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1206459-86-0 / 4-(trifluoromethyl)pyrimidine-2-carbonitrile

4-(trifluoromethyl)pyrimidine-2-carbonitrile | MFCD26386355 | 4-trifluoromethyl-pyrimidine-2-carbonitrile

Standard CAS: 1206459-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206459-86-0
Multi CAS
No
Molecular Formula
C6H2F3N3
Molecular Weight
173.100000
Exact Mass
173.020082
SMILES
C1=CN=C(N=C1C(F)(F)F)C#N
InChI
InChI=1S/C6H2F3N3/c7-6(8,9)4-1-2-11-5(3-10)12-4/h1-2H
InChIKey
UWOVBBYTTDZNSP-UHFFFAOYSA-N
Synonyms
4-(trifluoromethyl)pyrimidine-2-carbonitrile MFCD26386355 4-trifluoromethyl-pyrimidine-2-carbonitrile SCHEMBL17792 AKOS037644211

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
31.75
TPSA
49.57

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us