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CAS 32445-22-0 (4,6-Diisopropyl-1,3-Phenylene)Dimethanol molecular structure lightbox
CAS RN: 32445-22-0

(4,6-Diisopropyl-1,3-Phenylene)Dimethanol

  • Product code: SSC-138025
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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: 0.25g
  • 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 32445-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

32445-22-0 / [5-(hydroxymethyl)-2,4-di(propan-2-yl)phenyl]methanol

Standard CAS: 32445-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32445-22-0
Multi CAS
No
Molecular Formula
C14H22O2
Molecular Weight
222.320000
Exact Mass
222.161980
InChI
InChI=1S/C14H22O2/c1-9(2)13-6-14(10(3)4)12(8-16)5-11(13)7-15/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKey
ZCSRMKWFMUDWAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.47
TPSA
40.46

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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)
-2

Drug-likeness / Medicinal Chemistry

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

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