CAS RN: 2135332-10-2

(6-(Trifluoromethyl)pyridazin-3-YL)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-101925
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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: 0.25g
  • Available purity: ≥95%
  • 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 2135332-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2135332-10-2 / [6-(trifluoromethyl)pyridazin-3-yl]methanol

Standard CAS: 2135332-10-2 Multi CAS: No

Basic Information

CAS
2135332-10-2
Multi CAS
No
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
SMILES
C1=CC(=NN=C1CO)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-2,12H,3H2
InChIKey
XBLYNHFICSZKSK-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
-0.1
Consensus LogP
0.59
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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