![CAS 1170110-01-6 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1170110-01-6.gif)
CAS RN: 1170110-01-6
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione(SALTDATA: FREE)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250409 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1170110-01-6
- Purity/Analytical Methods: >99.0%
1170110-01-6 / 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
1-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione | 1-Methyl-1,3-diazaspiro(4.4)nonane-2,4-dione | RefChem:433679
Basic Information
CAS
1170110-01-6
Multi CAS
No
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
CN1C(=O)NC(=O)C12CCCC2
InChI
InChI=1S/C8H12N2O2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
InChIKey
NWIWGGCNGWUUQU-UHFFFAOYSA-N
Synonyms
1-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
1-Methyl-1,3-diazaspiro(4.4)nonane-2,4-dione
RefChem:433679
800-602-0
MFCD12402125
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.5
TPSA
49.41
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.2
Consensus LogP
0.37
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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