![CAS 77415-55-5 2,7-Diazaspiro[4.4]nonane dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/77415-55-5.png)
CAS RN: 77415-55-5
2,7-Diazaspiro[4.4]nonane dihydrobromide
Product Availability
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4 package records3 with current stock1 grade group
- Product code: LIND900735
77415-55-5 / 2,7-diazaspiro[4.4]nonane;dihydrobromide
Basic Information
CAS
77415-55-5
Multi CAS
No
Molecular Formula
C7H16BR2N2
Molecular Weight
288.020000
Exact Mass
287.965970
InChI
InChI=1S/C7H14N2.2BrH/c1-3-8-5-7(1)2-4-9-6-7;;/h8-9H,1-6H2;2*1H
InChIKey
PJQDVDOYIWDCNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.05
TPSA
24.06
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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