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CAS 5115-71-9 Glucotropaeolin Potassium Salt molecular structure lightbox
CAS RN: 5115-71-9

Glucotropaeolin Potassium Salt

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg In stock Shanghai Inquiry
Batchno.20260625 10mg In stock Shanghai Inquiry
Batchno.20250914 25mg In stock Shanghai Inquiry
Batchno.20251101 50mg In stock Shanghai Inquiry
Batchno.20251108 5mg In stock Shanghai Inquiry
  • Product code: ICTG0397
  • Purity/Analytical Methods: >95.0%(HPLC)
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5115-71-9 / potassium [(E)-[2-phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

Standard CAS: 5115-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5115-71-9
Multi CAS
Yes
Molecular Formula
C14H18KNO9S2
Molecular Weight
447.500000
Exact Mass
447.006005
InChI
InChI=1S/C14H19NO9S2.K/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8;/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22);/q;+1/p-1/b15-10+;/t9-,11-,12+,13-,14+;/m1./s1
InChIKey
UYCWNAZWHVREMO-XLUSCXMISA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
4
Molar refractivity
89.72
TPSA
168.94

LogP / Solubility

WLOGP
-4.44
MLOGP
-3.88
XLogP3
-4.44
Consensus LogP
-4.25
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.4
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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