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CAS 19263-36-6 2,6-ditert-butyl-4-vinylphenol molecular structure lightbox
CAS RN: 19263-36-6

2,6-ditert-butyl-4-vinylphenol

  • Product code: SSC-090103
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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: 1g
  • 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 19263-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

19263-36-6 / 2,6-ditert-butyl-4-ethenylphenol

Standard CAS: 19263-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19263-36-6
Multi CAS
No
Molecular Formula
C16H24O
Molecular Weight
232.360000
Exact Mass
232.182715
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C
InChI
InChI=1S/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10,17H,1H2,2-7H3
InChIKey
ZMRCFZFFKWFWSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.6
TPSA
20.23

LogP / Solubility

WLOGP
4.63
MLOGP
4.08
XLogP3
5.7
Consensus LogP
4.8
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85

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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