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CAS 168253-07-4 2-C-(2,3,4,6-Tetra-O-benzyl-b-D-glucopyranosyl) ethyne molecular structure lightbox
CAS RN: 168253-07-4

2-C-(2,3,4,6-Tetra-O-benzyl-b-D-glucopyranosyl) ethyne

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-073334
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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 168253-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

168253-07-4 / (2S,3S,4R,5R,6R)-2-ethynyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Standard CAS: 168253-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168253-07-4
Multi CAS
No
Molecular Formula
C36H36O5
Molecular Weight
548.700000
Exact Mass
548.256274
SMILES
C#C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C36H36O5/c1-2-32-34(38-24-29-17-9-4-10-18-29)36(40-26-31-21-13-6-14-22-31)35(39-25-30-19-11-5-12-20-30)33(41-32)27-37-23-28-15-7-3-8-16-28/h1,3-22,32-36H,23-27H2/t32-,33+,34-,35+,36+/m0/s1
InChIKey
ODYZSGODFGXEDP-LPMXJBPNSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
13
H-bond acceptors
5
Molar refractivity
158.65
TPSA
46.15

LogP / Solubility

WLOGP
6.36
MLOGP
5.64
XLogP3
5.7
Consensus LogP
5.9
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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