![CAS 1199792-85-2 (S)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTAN-6-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1199792-85-2.gif)
CAS RN: 1199792-85-2
(S)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTAN-6-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.20250224 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1199792-85-2
- Purity/Analytical Methods: >99.0%
1199792-85-2 / (5S)-5-methyl-4,7-diazaspiro[2.5]octan-6-one
(S)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTAN-6-ONE | (5S)-5-methyl-4,7-diazaspiro[2.5]octan-6-one | SCHEMBL1508897
Basic Information
CAS
1199792-85-2
Multi CAS
Yes
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
C[C@H]1C(=O)NCC2(N1)CC2
InChI
InChI=1S/C7H12N2O/c1-5-6(10)8-4-7(9-5)2-3-7/h5,9H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKey
FKGKVLLHAFDAOQ-YFKPBYRVSA-N
Synonyms
(S)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTAN-6-ONE
(5S)-5-methyl-4,7-diazaspiro[2.5]octan-6-one
SCHEMBL1508897
MFCD25541974
(S)-5-Methyl-4,7-diazaspiro[2 5]octan-6-one
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.57
TPSA
41.13
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.34
XLogP3
-0.3
Consensus LogP
-0.34
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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