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CAS 105786-40-1 3-EXO-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-EXO-CARBOXAMIDE molecular structure lightbox
CAS RN: 105786-40-1

3-EXO-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-EXO-CARBOXAMIDE

  • Product code: SSC-007497
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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 105786-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

105786-40-1 / (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide

3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide | 3-AMINO-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXAMIDE | bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-amino-, hydrochloride

Standard CAS: 105786-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105786-40-1
Multi CAS
Yes
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
C1[C@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)N)N
InChI
InChI=1S/C8H12N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H2,10,11)/t4-,5+,6+,7-/m1/s1
InChIKey
SCQSHSJVMGGQKR-JRTVQGFMSA-N
Synonyms
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide 3-AMINO-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXAMIDE bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-amino-, hydrochloride MFCD27756494 Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-amino- (9CI)

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.4
TPSA
69.11

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.3
Consensus LogP
-0.34
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very 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)
-3.92

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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