![CAS 1153767-99-7 1,8-Diazaspiro[4.5]decane, 8-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1153767-99-7.gif)
CAS RN: 1153767-99-7
1,8-Diazaspiro[4.5]decane, 8-Methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 5mg / 50mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1153767-99-7
- Purity/Analytical Methods: >99.0%
1153767-99-7 / 8-methyl-1,8-diazaspiro[4.5]decane
8-methyl-1,8-diazaspiro[4.5]decane | 8-Methyl-1,8-diazaspiro(4.5)decane | RefChem:548238
Basic Information
CAS
1153767-99-7
Multi CAS
No
Molecular Formula
C9H18N2
Molecular Weight
154.250000
Exact Mass
154.146999
SMILES
CN1CCC2(CCCN2)CC1
InChI
InChI=1S/C9H18N2/c1-11-7-4-9(5-8-11)3-2-6-10-9/h10H,2-8H2,1H3
InChIKey
VUBIQWFPHPCIDO-UHFFFAOYSA-N
Synonyms
8-methyl-1,8-diazaspiro[4.5]decane
8-Methyl-1,8-diazaspiro(4.5)decane
RefChem:548238
840-244-2
8-Methyl-1,8-diaza-spiro[4.5]decane
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.7
TPSA
15.27
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501
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