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CAS 1073556-32-7 (1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane molecular structure lightbox
CAS RN: 1073556-32-7

(1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane

  • Product code: SSC-008962
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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 1073556-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1073556-32-7 / (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane

2-ethyl-2,5-diazabicyclo[2.2.1]heptane | MFCD24491117 | 2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane

Standard CAS: 1073556-32-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073556-32-7
Multi CAS
Yes
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
SMILES
CCN1C[C@H]2C[C@@H]1CN2
InChI
InChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
JHJSEBFGEBLLQN-RNFRBKRXSA-N
Synonyms
2-ethyl-2,5-diazabicyclo[2.2.1]heptane MFCD24491117 2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane SCHEMBL1447703 SCHEMBL2554865

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.44
TPSA
15.27

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.2
Consensus LogP
0.1
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (50%): Combustible liquid [Warning Flammable liquids] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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