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CAS 1427195-26-3 4-(2-fluoropropan-2-yl)pyriMidine-5-carbonitrile molecular structure lightbox
CAS RN: 1427195-26-3

4-(2-fluoropropan-2-yl)pyriMidine-5-carbonitrile

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 5-7 business days Inquiry
  • Product code: SSC-053556
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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, 0.25g, 0.1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1427195-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1427195-26-3 / 4-(2-fluoropropan-2-yl)pyrimidine-5-carbonitrile

Standard CAS: 1427195-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427195-26-3
Multi CAS
No
Molecular Formula
C8H8FN3
Molecular Weight
165.170000
Exact Mass
165.070225
SMILES
CC(C)(C1=NC=NC=C1C#N)F
InChI
InChI=1S/C8H8FN3/c1-8(2,9)7-6(3-10)4-11-5-12-7/h4-5H,1-2H3
InChIKey
UPWCPAJBQKHINB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.88
TPSA
49.57

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
0.7
Consensus LogP
1.2
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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