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CAS 76364-76-6 octahydro-4,7-methano-1H-indene-5,-dimethylamine molecular structure lightbox
CAS RN: 76364-76-6

octahydro-4,7-methano-1H-indene-5,-dimethylamine

  • Product code: SSC-185796
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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: 25g
  • 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 76364-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

76364-76-6 / tricyclo[5.2.1.02,6]decane-3,8-dicarboxamide

Standard CAS: 76364-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76364-76-6
Multi CAS
Yes
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
InChI
InChI=1S/C12H18N2O2/c13-11(15)7-2-1-6-8-3-5(10(6)7)4-9(8)12(14)16/h5-10H,1-4H2,(H2,13,15)(H2,14,16)
InChIKey
YBTPUEUIKVLFIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.8
TPSA
86.18

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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