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CAS 1240594-67-5 (4-(trifluoromethyl)pyrimidin-2-yl)methanol molecular structure lightbox
CAS RN: 1240594-67-5

(4-(trifluoromethyl)pyrimidin-2-yl)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-027862
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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 1240594-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1240594-67-5 / [4-(trifluoromethyl)pyrimidin-2-yl]methanol

Standard CAS: 1240594-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240594-67-5
Multi CAS
No
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
SMILES
C1=CN=C(N=C1C(F)(F)F)CO
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-2,12H,3H2
InChIKey
UAUKCOHAEJTUND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.96
TPSA
46.01

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.3
Consensus LogP
0.72
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.11

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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