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CAS 905716-02-1 Tolyl 4,6-O-isopropylidene-1-thio-beta-D-glucopyranoside, Thiocresyl 4,6-O-isopropylidene-beta-D-glucopyranoside molecular structure lightbox
CAS RN: 905716-02-1

Tolyl 4,6-O-isopropylidene-1-thio-beta-D-glucopyranoside, Thiocresyl 4,6-O-isopropylidene-beta-D-glucopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-203126
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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 905716-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

905716-02-1 / (4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-(4-methylphenyl)sulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Standard CAS: 905716-02-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
905716-02-1
Multi CAS
Yes
Molecular Formula
C16H22O5S
Molecular Weight
326.400000
Exact Mass
326.118795
InChI
InChI=1S/C16H22O5S/c1-9-4-6-10(7-5-9)22-15-13(18)12(17)14-11(20-15)8-19-16(2,3)21-14/h4-7,11-15,17-18H,8H2,1-3H3/t11-,12-,13-,14-,15+/m1/s1
InChIKey
NFVMLWMNJOOWJW-RYPNDVFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.61
TPSA
68.15

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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