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CAS 866366-86-1 Xanthiside molecular structure lightbox
CAS RN: 866366-86-1

Xanthiside

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1mg / 5mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 10mg In stock Shanghai Inquiry
Batchno.20250423 1mg In stock Shanghai Inquiry
Batchno.20260421 25mg In stock Shanghai Inquiry
Batchno.20260122 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS866366-86-1
  • Purity/Analytical Methods: >99.0%
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866366-86-1 / 8,8-dimethyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione

Standard CAS: 866366-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
866366-86-1
Multi CAS
Yes
Molecular Formula
C17H23NO8S
Molecular Weight
401.400000
Exact Mass
401.114438
InChI
InChI=1S/C17H23NO8S/c1-17(2)7(3-8(20)11-15(17)27-6-10(21)18-11)5-25-16-14(24)13(23)12(22)9(4-19)26-16/h3,9,12-14,16,19,22-24H,4-6H2,1-2H3,(H,18,21)
InChIKey
AKXSDYSKIVXIJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
5
Molar refractivity
94.22
TPSA
145.55

LogP / Solubility

WLOGP
-1.59
MLOGP
-1.37
XLogP3
-1.5
Consensus LogP
-1.49
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-6.3

Drug-likeness / Medicinal Chemistry

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

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