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CAS 1152-39-2 4-Methylphenyl 1-thio-b-D-glucopyranoside molecular structure lightbox
CAS RN: 1152-39-2

4-Methylphenyl 1-thio-b-D-glucopyranoside

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251126 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250303 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-014883
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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: ＞97%
  • 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 1152-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1152-39-2 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol

2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol | (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol | MFCD04973631

Standard CAS: 1152-39-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1152-39-2
Multi CAS
Yes
Molecular Formula
C13H18O5S
Molecular Weight
286.350000
Exact Mass
286.087495
SMILES
CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O5S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)18-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13+/m1/s1
InChIKey
IQCLIQLFPVKINX-LBELIVKGSA-N
Synonyms
2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol MFCD04973631 Phenyl 1-thiol-alpha-D-mannopyranoside 4-Methylphenyl-1-thio-alpha-D-mannopyranoside

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
70.8
TPSA
90.15

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.09
XLogP3
0.7
Consensus LogP
0.17
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.55

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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