![CAS 2227197-87-5 (3R,4R)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-87-5.gif)
CAS RN: 2227197-87-5
(3R,4R)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine dihydrochloride
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.20251121 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2227197-87-5
- Purity/Analytical Methods: >99.0%
2227197-87-5 / (3R,4R)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;dihydrochloride
Basic Information
CAS
2227197-87-5
Multi CAS
No
Molecular Formula
C9H20Cl2N2O
Molecular Weight
243.170000
Exact Mass
242.095269
SMILES
C[C@@H]1[C@@H](C2(CCNCC2)CO1)N.Cl.Cl
InChI
InChI=1S/C9H18N2O.2ClH/c1-7-8(10)9(6-12-7)2-4-11-5-3-9;;/h7-8,11H,2-6,10H2,1H3;2*1H/t7-,8+;;/m1../s1
InChIKey
DNEMBMRUCXTRGW-YUZCMTBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.42
TPSA
47.28
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 2227198-84-5 2-Thiophenecarboxamide, 5-(difluoromethyl)-N-[1-[[(2S)-1-(1-oxo-2-propen-1-yl)-2-pyrrolidinyl]methyl]-5-[[[(1S)-1,2,2-trimethylpropyl]amino]methyl]-1H-benzimidazol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227198-84-5.gif)
