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CAS 5596-17-8 EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE molecular structure lightbox
CAS RN: 5596-17-8

EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 1g Out of stock Inquiry
Batchno.20250913 250mg In stock Tianjin, Wuhan Inquiry
Batchno.20260603 5g Out of stock Inquiry
  • Product code: SSC-163897
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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: 5g
  • Available purity: ≥95%
  • 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 5596-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5596-17-8 / 2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Standard CAS: 5596-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5596-17-8
Multi CAS
Yes
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
InChI
InChI=1S/C8H7NO4/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12/h1-6,12H
InChIKey
PPVGNPSAUJFBJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.42
TPSA
66.84

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.61
XLogP3
-1.3
Consensus LogP
-0.87
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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