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CAS 99502-89-3 N-chlorocarbonyloxy-5-norborene-2,3,-dicarboximide molecular structure lightbox
CAS RN: 99502-89-3

N-chlorocarbonyloxy-5-norborene-2,3,-dicarboximide

  • Product code: SSC-213208
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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: ≥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 99502-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99502-89-3 / (3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) carbonochloridate

Standard CAS: 99502-89-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99502-89-3
Multi CAS
Yes
Molecular Formula
C10H8CLNO4
Molecular Weight
241.630000
Exact Mass
241.014185
InChI
InChI=1S/C10H8ClNO4/c11-10(15)16-12-8(13)6-4-1-2-5(3-4)7(6)9(12)14/h1-2,4-7H,3H2
InChIKey
WZSYICREJGEVIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.9
TPSA
63.68

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-3.42

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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