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CAS 73936-80-8 2-(alpha,alpha-DiMethylbenzyl)-4-tert-octylphenol molecular structure lightbox
CAS RN: 73936-80-8

2-(alpha,alpha-DiMethylbenzyl)-4-tert-octylphenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100g Out of stock 15 business days Inquiry
  • Product code: SSC-183364
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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 73936-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

73936-80-8 / 2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

Standard CAS: 73936-80-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
73936-80-8
Multi CAS
No
Molecular Formula
C23H32O
Molecular Weight
324.500000
Exact Mass
324.245316
InChI
InChI=1S/C23H32O/c1-21(2,3)16-22(4,5)18-13-14-20(24)19(15-18)23(6,7)17-11-9-8-10-12-17/h8-15,24H,16H2,1-7H3
InChIKey
ONHZKWDILKBQLS-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; Other Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.77
TPSA
20.23

LogP / Solubility

WLOGP
6.43
MLOGP
5.68
XLogP3
7.8
Consensus LogP
6.64
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
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
No
Log Kp (skin permeation)
-0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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