![CAS 1214249-94-1 (1R,5S)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214249-94-1.gif)
CAS RN: 1214249-94-1
(1R,5S)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane hydrochloride
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.20251125 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214249-94-1
- Purity/Analytical Methods: >99.0%
1214249-94-1 / 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;dihydrochloride
Basic Information
CAS
1214249-94-1
Multi CAS
No
Molecular Formula
C7H16Cl2N2O
Molecular Weight
215.120000
Exact Mass
214.063969
SMILES
CN1C2CNCC1COC2.Cl.Cl
InChI
InChI=1S/C7H14N2O.2ClH/c1-9-6-2-8-3-7(9)5-10-4-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKey
RCLAAKSHYRXMHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.52
TPSA
24.5
LogP / Solubility
WLOGP
0.13
MLOGP
0.12
XLogP3
0.13
Consensus LogP
0.13
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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