[email protected]
CAS 879487-92-0 2-(6-Bromo-3-pyridyl)-1,1,1-trifluoro-2-propanol molecular structure lightbox
CAS RN: 879487-92-0

2-(6-Bromo-3-pyridyl)-1,1,1-trifluoro-2-propanol

  • Product code: SSC-198329
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 879487-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Beijing Inquiry

879487-92-0 / 2-(6-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol

Standard CAS: 879487-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
879487-92-0
Multi CAS
No
Molecular Formula
BC8H7NORf3
Molecular Weight
270.050000
Exact Mass
268.966310
InChI
InChI=1S/C8H7BrF3NO/c1-7(14,8(10,11)12)5-2-3-6(9)13-4-5/h2-4,14H,1H3
InChIKey
NSUFGFMEOJIOOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.56
TPSA
33.12

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us