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CAS 19253-84-0 GLUCOSINALBIN molecular structure lightbox
CAS RN: 19253-84-0

GLUCOSINALBIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19253-84-0
  • Purity/Analytical Methods: >99.0%
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19253-84-0 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

Standard CAS: 19253-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19253-84-0
Multi CAS
No
Molecular Formula
C14H19NO10S2
Molecular Weight
425.400000
Exact Mass
425.045038
SMILES
C1=CC(=CC=C1C/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1
InChIKey
WWBNBPSEKLOHJU-BXLHIMNRSA-N

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
6
Molar refractivity
93.24
TPSA
186.34

LogP / Solubility

WLOGP
-1.4
MLOGP
-1.2
XLogP3
-0.6
Consensus LogP
-1.07
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
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)
-6.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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