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CAS 32620-90-9 3A,4,7,7A-TETRAHYDRO-2-(2′-HYDROXYETHYL)-4,7-EPOXY-1H-ISOINDOLE-1,3(2H)-DIONE molecular structure lightbox
CAS RN: 32620-90-9

3A,4,7,7A-TETRAHYDRO-2-(2′-HYDROXYETHYL)-4,7-EPOXY-1H-ISOINDOLE-1,3(2H)-DIONE

  • Product code: SSC-138263
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 32620-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

32620-90-9 / (4R,7S)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Standard CAS: 32620-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32620-90-9
Multi CAS
Yes
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c12-4-3-11-9(13)7-5-1-2-6(15-5)8(7)10(11)14/h1-2,5-8,12H,3-4H2
InChIKey
ISKZEUQQPPVQNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.59
TPSA
66.84

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-1.5
Consensus LogP
-1.18
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.76

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
5.5

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