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CAS 352008-11-8 Ethyl 2-O-benzoyl-3-O-(2-methylnaphthyl)-4,6-O-benzylidene-1-thio-β-D-glucopyranoside molecular structure lightbox
CAS RN: 352008-11-8

Ethyl 2-O-benzoyl-3-O-(2-methylnaphthyl)-4,6-O-benzylidene-1-thio-β-D-glucopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-142066
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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 352008-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

352008-11-8 / [(4aR,6S,7R,8S,8aR)-6-ethylsulfanyl-8-(2-methylnaphthalen-1-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate

Standard CAS: 352008-11-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352008-11-8
Multi CAS
Yes
Molecular Formula
C33H32O6S
Molecular Weight
556.700000
Exact Mass
556.191960
InChI
InChI=1S/C33H32O6S/c1-2-40-33-30(38-31(34)24-12-5-3-6-13-24)29(35-20-22-17-18-23-11-9-10-16-26(23)19-22)28-27(37-33)21-36-32(39-28)25-14-7-4-8-15-25/h3-19,27-30,32-33H,2,20-21H2,1H3/t27-,28-,29+,30-,32-,33+/m1/s1
InChIKey
DKYLJGNJTKVQTK-KTBPBYQKSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
22
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
155.55
TPSA
63.22

LogP / Solubility

WLOGP
6.71
MLOGP
5.95
XLogP3
7.2
Consensus LogP
6.62
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.69
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)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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