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CAS 114859-23-3 Pentafluorobenzyl Methacrylate (stabilized with BHT) molecular structure lightbox
CAS RN: 114859-23-3

Pentafluorobenzyl Methacrylate (stabilized with BHT)

  • Product code: SSC-014575
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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 114859-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

114859-23-3 / [difluoro-(2,3,4-trifluorophenyl)methyl] 2-methylprop-2-enoate

Pentafluorobenzyl Methacrylate (stabilized with BHT) | RefChem:859806 | 834-497-8

Standard CAS: 114859-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114859-23-3
Multi CAS
Yes
Molecular Formula
C11H7F5O2
Molecular Weight
266.160000
Exact Mass
266.036620
SMILES
CC(=C)C(=O)OC(C1=C(C(=C(C=C1)F)F)F)(F)F
InChI
InChI=1S/C11H7F5O2/c1-5(2)10(17)18-11(15,16)6-3-4-7(12)9(14)8(6)13/h3-4H,1H2,2H3
InChIKey
KYOVZNUXIBOBCQ-UHFFFAOYSA-N
Synonyms
Pentafluorobenzyl Methacrylate (stabilized with BHT) RefChem:859806 834-497-8 Pentafluorobenzyl methacrylate 2,3,4,5,6-pentafluorobenzyl methacrylate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.12
TPSA
26.3

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
3.6
Consensus LogP
3.25
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-2.02

Drug-likeness / Medicinal Chemistry

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

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