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CAS 2425-41-4 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane molecular structure lightbox
CAS RN: 2425-41-4

5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-118367
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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: ＞97%
  • 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 2425-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2425-41-4 / [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol

Standard CAS: 2425-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2425-41-4
Multi CAS
No
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
SMILES
C1C(COC(O1)C2=CC=CC=C2)(CO)CO
InChI
InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChIKey
DHWCGYXHBIWIPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.69
TPSA
58.92

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.47
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.59

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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