![CAS 1434141-65-7 3-Methyl-3,8-diazabicyclo[3.2.1]octan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/1434141-65-7.png)
CAS RN: 1434141-65-7
3-Methyl-3,8-diazabicyclo[3.2.1]octan-2-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 250mg | Out of stock | 8-10 business days | Inquiry |
1434141-65-7 / 3-methyl-3,8-diazabicyclo[3.2.1]octan-2-one
3-Methyl-3,8-diazabicyclo[3.2.1]octan-2-one | MFCD27956942 | 3,8-diazabicyclo[3.2.1]octan-2-one,3-methyl-
Basic Information
CAS
1434141-65-7
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
CN1CC2CCC(C1=O)N2
InChI
InChI=1S/C7H12N2O/c1-9-4-5-2-3-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3
InChIKey
QFUJWBARWLLAMG-UHFFFAOYSA-N
Synonyms
3-Methyl-3,8-diazabicyclo[3.2.1]octan-2-one
MFCD27956942
3,8-diazabicyclo[3.2.1]octan-2-one,3-methyl-
3,8-diazabicyclo[3.2.1]octan-2-one, 3-methyl-
(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-2-one
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.58
TPSA
32.34
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.38
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
