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CAS 87413-09-0 Dess-Martin Periodinane molecular structure lightbox
CAS RN: 87413-09-0

Dess-Martin Periodinane

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 100g In stock Inquiry
Batchno.20260124 25g In stock Inquiry
Batchno.20250530 500g In stock Inquiry
Batchno.20250618 5g In stock Inquiry
  • Product code: ICTD2045
  • Purity/Analytical Methods: >95.0%(T)
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87413-09-0 / (1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl) acetate

Standard CAS: 87413-09-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87413-09-0
Multi CAS
Yes
Molecular Formula
C13H13IO8
Molecular Weight
424.140000
Exact Mass
423.965510
InChI
InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3
InChIKey
NKLCNNUWBJBICK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
79.87
TPSA
105.2

LogP / Solubility

WLOGP
1.95
MLOGP
1.75
XLogP3
2.7
Consensus LogP
2.13
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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