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CAS 487-60-5 Indican (Plant Indican) molecular structure lightbox
CAS RN: 487-60-5

Indican (Plant Indican)

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100mg In stock Shanghai Inquiry
Batchno.20260319 1g In stock Shanghai Inquiry
Batchno.20260430 250mg In stock Shanghai Inquiry
Batchno.20260425 50mg In stock Shanghai Inquiry
  • Product code: ICTI1012
  • Purity/Analytical Methods: >98.0%(HPLC)
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487-60-5 / (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol

Standard CAS: 487-60-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
487-60-5
Multi CAS
Yes
Molecular Formula
C14H17NO6
Molecular Weight
295.290000
Exact Mass
295.105587
InChI
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14?/m1/s1
InChIKey
XVARCVCWNFACQC-RQICVUQASA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
5
Molar refractivity
72.69
TPSA
115.17

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.56
XLogP3
-0.1
Consensus LogP
-0.44
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.99

Drug-likeness / Medicinal Chemistry

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

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