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CAS 35946-91-9 2,5-DIISOPROPYLPHENOL molecular structure lightbox
CAS RN: 35946-91-9

2,5-DIISOPROPYLPHENOL

  • Product code: SSC-143018
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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: 0.1g
  • 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 35946-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

35946-91-9 / 2,5-di(propan-2-yl)phenol

Standard CAS: 35946-91-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
35946-91-9
Multi CAS
Yes
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
InChI
InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
InChIKey
VFNUNYPYULIJSN-UHFFFAOYSA-N

Physical Properties

Melting Point
95.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.28
TPSA
20.23

LogP / Solubility

WLOGP
3.64
MLOGP
3.2
XLogP3
4.1
Consensus LogP
3.65
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-1.22

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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