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CAS 117122-84-6 (2R,4S,5R)-4-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol molecular structure lightbox
CAS RN: 117122-84-6

(2R,4S,5R)-4-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016975
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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 117122-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

117122-84-6 / (2R,4S,5R)-4-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol

(2R,4S,5R)-4-(HYDROXYMETHYL)-2-PHENYL-1,3-DIOXAN-5-OL | 1,3-Dioxane-4-methanol, 5-hydroxy-2-phenyl-, (2R,4S,5R)- | MFCD30342490

Standard CAS: 117122-84-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117122-84-6
Multi CAS
Yes
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
SMILES
C1[C@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2)CO)O
InChI
InChI=1S/C11H14O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-/m1/s1
InChIKey
GUOMTMWCUMBRFX-OUAUKWLOSA-N
Synonyms
(2R,4S,5R)-4-(HYDROXYMETHYL)-2-PHENYL-1,3-DIOXAN-5-OL 1,3-Dioxane-4-methanol, 5-hydroxy-2-phenyl-, (2R,4S,5R)- MFCD30342490 1,3-O-Benzylidene-L-erythritol (2R,4S,5R)-5-Hydroxy-2-phenyl-1,3-dioxane-4-methanol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.1
TPSA
58.92

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.48
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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