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CAS 87736-88-7 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol molecular structure lightbox
CAS RN: 87736-88-7

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251110 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250615 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260420 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 200mg In stock Shandong Inquiry
  • Product code: SSC-197997
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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: 10g
  • 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 87736-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

87736-88-7 / [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol

Standard CAS: 87736-88-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87736-88-7
Multi CAS
No
Molecular Formula
C9F3H7N2O
Molecular Weight
216.160000
Exact Mass
216.051047
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2
InChIKey
UZHHTEASLDJYBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.95
TPSA
44.95

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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