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CAS 1357476-67-5 4-broMo-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine molecular structure lightbox
CAS RN: 1357476-67-5

4-broMo-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-044338
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1357476-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1357476-67-5 / 4-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine

Standard CAS: 1357476-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357476-67-5
Multi CAS
No
Molecular Formula
C9H9BrF3N
Molecular Weight
268.070000
Exact Mass
266.987050
SMILES
CC(C)(C1=NC=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C9H9BrF3N/c1-8(2,9(11,12)13)7-5-6(10)3-4-14-7/h3-5H,1-2H3
InChIKey
XAQNICQGPIHIIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.02
TPSA
12.89

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly 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)
-1.74

Drug-likeness / Medicinal Chemistry

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

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