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CAS 88744-04-1 9-Fluorenylmethyl Pentafluorophenyl Carbonate molecular structure lightbox
CAS RN: 88744-04-1

9-Fluorenylmethyl Pentafluorophenyl Carbonate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 1g In stock Inquiry
Batchno.20260601 25g In stock Inquiry
Batchno.20260309 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 1g In stock Shanghai Inquiry
Batchno.20250310 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260214 25g In stock Shanghai Inquiry
Batchno.20250720 5g In stock Shanghai Inquiry
  • Product code: SSC-200295
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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: 5g
  • 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 88744-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

88744-04-1 / 9H-fluoren-9-ylmethyl (2,3,4,5,6-pentafluorophenyl) carbonate

Standard CAS: 88744-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88744-04-1
Multi CAS
Yes
Molecular Formula
C21F5H11O3
Molecular Weight
406.300000
Exact Mass
406.062835
InChI
InChI=1S/C21H11F5O3/c22-15-16(23)18(25)20(19(26)17(15)24)29-21(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKey
CBBKZVZOEBSFQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
91.93
TPSA
35.53

LogP / Solubility

WLOGP
5.71
MLOGP
5.05
XLogP3
5.7
Consensus LogP
5.49
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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