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CAS 903-19-5 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone molecular structure lightbox
CAS RN: 903-19-5

2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 100g In stock Shenzhen, Chengdu Inquiry
Batchno.20251030 25g In stock Shenzhen Inquiry
Batchno.20250411 5g Out of stock Inquiry
Batchno.20251229 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTB1839
  • Purity/Analytical Methods: >95.0%(GC)
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903-19-5 / 2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Standard CAS: 903-19-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
903-19-5
Multi CAS
Yes
Molecular Formula
C22H38O2
Molecular Weight
334.500000
Exact Mass
334.287180
InChI
InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3
InChIKey
CLDZVCMRASJQFO-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
103.97
TPSA
40.46

LogP / Solubility

WLOGP
6.53
MLOGP
5.76
XLogP3
8
Consensus LogP
6.76
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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