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CAS 2936-70-1 PHENYL-BETA-D-THIOGLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 2936-70-1

PHENYL-BETA-D-THIOGLUCOPYRANOSIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-132040
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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 2936-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2936-70-1 / 2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol

Standard CAS: 2936-70-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2936-70-1
Multi CAS
Yes
Molecular Formula
C12H16O5S
Molecular Weight
272.320000
Exact Mass
272.071845
InChI
InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2
InChIKey
OVLYAISOYPJBLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
66.07
TPSA
90.15

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.36
XLogP3
0.3
Consensus LogP
-0.16
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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