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CAS 307531-76-6 N-HYDROXY-5-NORBORNENE-2 3-DICARBOXIMID& molecular structure lightbox
CAS RN: 307531-76-6

N-HYDROXY-5-NORBORNENE-2 3-DICARBOXIMID&

  • Product code: SSC-135709
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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 307531-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

307531-76-6 / (3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Standard CAS: 307531-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
307531-76-6
Multi CAS
Yes
Molecular Formula
C13F9H8NO5S
Molecular Weight
461.260000
Exact Mass
460.997947
InChI
InChI=1S/C13H8F9NO5S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(26,27)28-23-8(24)6-4-1-2-5(3-4)7(6)9(23)25/h1-2,4-7H,3H2
InChIKey
PNXSDOXXIOPXPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
70.47
TPSA
80.75

LogP / Solubility

WLOGP
2.48
MLOGP
2.21
XLogP3
3.1
Consensus LogP
2.6
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

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
6.5

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