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CAS 36919-03-6 Methyl Pentafluorophenyl Carbonate molecular structure lightbox
CAS RN: 36919-03-6

Methyl Pentafluorophenyl Carbonate

  • Product code: SSC-144194
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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: ≥98%
  • 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 36919-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

36919-03-6 / methyl (2,3,4,5,6-pentafluorophenyl) carbonate

Standard CAS: 36919-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36919-03-6
Multi CAS
Yes
Molecular Formula
C8F5H3O3
Molecular Weight
242.100000
Exact Mass
242.000235
InChI
InChI=1S/C8H3F5O3/c1-15-8(14)16-7-5(12)3(10)2(9)4(11)6(7)13/h1H3
InChIKey
HGYOVHMDBHQLOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.27
TPSA
35.53

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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