![CAS 1158750-93-6 2,6-Diazaspiro[4.5]decane, 6-(phenylMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158750-93-6.gif)
CAS RN: 1158750-93-6
2,6-Diazaspiro[4.5]decane, 6-(phenylMethyl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158750-93-6
- Purity/Analytical Methods: >99.0%
1158750-93-6 / 6-benzyl-2,6-diazaspiro[4.5]decane
6-benzyl-2,6-diazaspiro[4.5]decane | DTXSID20744338 | 6-benzyl-2,6-diazaspiro(4.5)decane
Basic Information
CAS
1158750-93-6
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
C1CCN(C2(C1)CCNC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-5-4-8-15(17)9-10-16-13-15/h1-3,6-7,16H,4-5,8-13H2
InChIKey
CTORQCPIHLPTDH-UHFFFAOYSA-N
Synonyms
6-benzyl-2,6-diazaspiro[4.5]decane
DTXSID20744338
6-benzyl-2,6-diazaspiro(4.5)decane
RefChem:540454
DTXCID10695082
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.92
TPSA
15.27
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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