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CAS 20746-64-9 Allyl 4,6-O-benzylidene-alpha-D-glucopyranoside molecular structure lightbox
CAS RN: 20746-64-9

Allyl 4,6-O-benzylidene-alpha-D-glucopyranoside

  • Product code: SSC-097665
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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 20746-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

20746-64-9 / 2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Standard CAS: 20746-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20746-64-9
Multi CAS
No
Molecular Formula
C16H20O6
Molecular Weight
308.330000
Exact Mass
308.125988
SMILES
C=CCOC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C16H20O6/c1-2-8-19-16-13(18)12(17)14-11(21-16)9-20-15(22-14)10-6-4-3-5-7-10/h2-7,11-18H,1,8-9H2
InChIKey
OMBCPFYQIULSGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.83
TPSA
77.38

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

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