[email protected]
CAS 1211586-58-1 5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine molecular structure lightbox
CAS RN: 1211586-58-1

5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-022846
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: 0.25g
  • 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 1211586-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1211586-58-1 / 5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine

5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine | MFCD26517002 | SCHEMBL938476

Standard CAS: 1211586-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211586-58-1
Multi CAS
No
Molecular Formula
C5HBrClF3N2
Molecular Weight
261.430000
Exact Mass
259.896370
SMILES
C1=C(C(=NC(=N1)C(F)(F)F)Cl)Br
InChI
InChI=1S/C5HBrClF3N2/c6-2-1-11-4(5(8,9)10)12-3(2)7/h1H
InChIKey
BCRNREZBLNQCLX-UHFFFAOYSA-N
Synonyms
5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine MFCD26517002 SCHEMBL938476 SCHEMBL30038000 BCRNREZBLNQCLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
39.74
TPSA
25.78

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.8
Consensus LogP
2.76
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.25

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us