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CAS 1477956-18-5 4-Methoxyphenyl 2-O-Acetyl-3-O-allyl-4,6-O-benzylidene-β-D-glucopyranoside molecular structure lightbox
CAS RN: 1477956-18-5

4-Methoxyphenyl 2-O-Acetyl-3-O-allyl-4,6-O-benzylidene-β-D-glucopyranoside

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250329 1g In stock Shanghai Inquiry
Batchno.20250731 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-058313
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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: >98%
  • 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 1477956-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry

1477956-18-5 / [(4aR,6S,7R,8S,8aR)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate

Standard CAS: 1477956-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1477956-18-5
Multi CAS
No
Molecular Formula
C25H28O8
Molecular Weight
456.500000
Exact Mass
456.178418
SMILES
CC(=O)O[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@H]1OC4=CC=C(C=C4)OC)OCC=C
InChI
InChI=1S/C25H28O8/c1-4-14-28-22-21-20(15-29-24(33-21)17-8-6-5-7-9-17)32-25(23(22)30-16(2)26)31-19-12-10-18(27-3)11-13-19/h4-13,20-25H,1,14-15H2,2-3H3/t20-,21-,22+,23-,24?,25-/m1/s1
InChIKey
AYSHRBCEMWANHR-HGGAONJVSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
117.78
TPSA
81.68

LogP / Solubility

WLOGP
3.42
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.29
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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