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CAS 78184-40-4 Allyl2,3,4-tri-O-benzyl-a-D-glucopyranoside molecular structure lightbox
CAS RN: 78184-40-4

Allyl2,3,4-tri-O-benzyl-a-D-glucopyranoside

  • Product code: SSC-187665
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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 78184-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

78184-40-4 / [(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxan-2-yl]methanol

Standard CAS: 78184-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78184-40-4
Multi CAS
Yes
Molecular Formula
C30H34O6
Molecular Weight
490.600000
Exact Mass
490.235539
InChI
InChI=1S/C30H34O6/c1-2-18-32-30-29(35-22-25-16-10-5-11-17-25)28(34-21-24-14-8-4-9-15-24)27(26(19-31)36-30)33-20-23-12-6-3-7-13-23/h2-17,26-31H,1,18-22H2/t26-,27-,28+,29-,30+/m1/s1
InChIKey
OHCBJQXERNTLKZ-RLXMVLCYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
136.95
TPSA
66.38

LogP / Solubility

WLOGP
4.66
MLOGP
4.14
XLogP3
4.1
Consensus LogP
4.3
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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