[email protected]
CAS 28463-24-3 Glucoraphenin molecular structure lightbox
CAS RN: 28463-24-3

Glucoraphenin

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260630 1mg Out of stock Inquiry
Batchno.20250425 5mg Out of stock Inquiry
  • Product code: starshine_CAS28463-24-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

28463-24-3 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypent-4-enimidothioate

Standard CAS: 28463-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28463-24-3
Multi CAS
No
Molecular Formula
C12H21NO10S3
Molecular Weight
435.500000
Exact Mass
435.032759
SMILES
CS(=O)C=CCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1
InChIKey
ZFLXCZJBYSPSKU-SISVVIKZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
5
Molar refractivity
93.87
TPSA
183.18

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.45
XLogP3
-2
Consensus LogP
-1.71
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-6.57

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
5.5

Customers Also Viewed

Get In Touch

Contact Us