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CAS 4026-28-2 6-Deoxy-1,2:3,4-di-O-isopropylidene-6-iodo-ALPHA-D-galactopyranose molecular structure lightbox
CAS RN: 4026-28-2

6-Deoxy-1,2:3,4-di-O-isopropylidene-6-iodo-ALPHA-D-galactopyranose

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4026-28-2
  • Purity/Analytical Methods: >99.0%
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4026-28-2 / 8-(iodomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Standard CAS: 4026-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4026-28-2
Multi CAS
Yes
Molecular Formula
C12H19IO5
Molecular Weight
370.180000
Exact Mass
370.027720
InChI
InChI=1S/C12H19IO5/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10H,5H2,1-4H3
InChIKey
JMIGDGVTFPSEMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
71.41
TPSA
46.15

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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