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CAS 19576-38-6 alpha,alpha,alpha’,alpha’,alpha”,alpha”-hexamethylbenzene-1,3,5-trimethanol molecular structure lightbox
CAS RN: 19576-38-6

alpha,alpha,alpha’,alpha’,alpha”,alpha”-hexamethylbenzene-1,3,5-trimethanol

  • Product code: SSC-092577
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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 19576-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

19576-38-6 / 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol

Standard CAS: 19576-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19576-38-6
Multi CAS
No
Molecular Formula
C15H24O3
Molecular Weight
252.350000
Exact Mass
252.172545
SMILES
CC(C)(C1=CC(=CC(=C1)C(C)(C)O)C(C)(C)O)O
InChI
InChI=1S/C15H24O3/c1-13(2,16)10-7-11(14(3,4)17)9-12(8-10)15(5,6)18/h7-9,16-18H,1-6H3
InChIKey
FMCWGKXGRNQNLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.18
TPSA
60.69

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1
Consensus LogP
1.82
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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