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CAS 14236-12-5 p-Dioxane-2,5-dimethanol molecular structure lightbox
CAS RN: 14236-12-5

p-Dioxane-2,5-dimethanol

  • Product code: SSC-053221
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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 14236-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14236-12-5 / [5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol

Standard CAS: 14236-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14236-12-5
Multi CAS
No
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
SMILES
C1C(OCC(O1)CO)CO
InChI
InChI=1S/C6H12O4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2
InChIKey
WHRYYSSZMQDPLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.65
TPSA
58.92

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.1
XLogP3
-1.5
Consensus LogP
-1.28
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51

Drug-likeness / Medicinal Chemistry

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

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