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CAS 184355-68-8 (2-HYDROXYPHENYL)BIS(4-HYDROXY-2,3,5-TRIMETHYLPHENYL)METHANE molecular structure lightbox
CAS RN: 184355-68-8

(2-HYDROXYPHENYL)BIS(4-HYDROXY-2,3,5-TRIMETHYLPHENYL)METHANE

  • Product code: SSC-085243
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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: ≥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 184355-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

184355-68-8 / 4-[(2-hydroxyphenyl)-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol

Standard CAS: 184355-68-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
184355-68-8
Multi CAS
No
Molecular Formula
C25H28O3
Molecular Weight
376.500000
Exact Mass
376.203845
SMILES
CC1=CC(=C(C(=C1O)C)C)C(C2=CC=CC=C2O)C3=C(C(=C(C(=C3)C)O)C)C
InChI
InChI=1S/C25H28O3/c1-13-11-20(15(3)17(5)24(13)27)23(19-9-7-8-10-22(19)26)21-12-14(2)25(28)18(6)16(21)4/h7-12,23,26-28H,1-6H3
InChIKey
CLAQXRONBVEWMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
113.69
TPSA
60.69

LogP / Solubility

WLOGP
5.83
MLOGP
5.16
XLogP3
6.4
Consensus LogP
5.8
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
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
Yes
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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