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CAS 19165-11-8 ISOPROPYL BETA-D-THIOGLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 19165-11-8

ISOPROPYL BETA-D-THIOGLUCOPYRANOSIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 100mg In stock Inquiry
Batchno.20250814 25mg In stock Inquiry
Batchno.20260329 500mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19165-11-8
  • Purity/Analytical Methods: >99.0%
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19165-11-8 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol

Standard CAS: 19165-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19165-11-8
Multi CAS
No
Molecular Formula
C9H18O5S
Molecular Weight
238.300000
Exact Mass
238.087495
SMILES
CC(C)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey
BPHPUYQFMNQIOC-ZEBDFXRSSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
56.49
TPSA
90.15

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.94
XLogP3
-0.5
Consensus LogP
-0.84
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-4.93

Drug-likeness / Medicinal Chemistry

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

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