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CAS 197847-95-3 (6-[2-(TRIFLUOROMETHOXY)PHENYL]PYRIDIN-3-YL)METHANOL molecular structure lightbox
CAS RN: 197847-95-3

(6-[2-(TRIFLUOROMETHOXY)PHENYL]PYRIDIN-3-YL)METHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093260
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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, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 197847-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

197847-95-3 / [6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

Standard CAS: 197847-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197847-95-3
Multi CAS
No
Molecular Formula
C13H10F3NO2
Molecular Weight
269.220000
Exact Mass
269.066363
SMILES
C1=CC=C(C(=C1)C2=NC=C(C=C2)CO)OC(F)(F)F
InChI
InChI=1S/C13H10F3NO2/c14-13(15,16)19-12-4-2-1-3-10(12)11-6-5-9(8-18)7-17-11/h1-7,18H,8H2
InChIKey
ASRVJOXNOCXQEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.28
TPSA
42.35

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

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

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