![CAS 1251021-24-5 8-Oxa-2-Aza-Spiro[4.5]Decane-2,4-Dicarboxylic Acid 2-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251021-24-5.gif)
CAS RN: 1251021-24-5
8-Oxa-2-Aza-Spiro[4.5]Decane-2,4-Dicarboxylic Acid 2-Tert-Butyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1251021-24-5
- Purity/Analytical Methods: >99.0%
1251021-24-5 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
Basic Information
CAS
1251021-24-5
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)CCOCC2)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-10(11(16)17)14(9-15)4-6-19-7-5-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
DTRXZNCGAPCBBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.42
TPSA
76.07
LogP / Solubility
WLOGP
1.73
MLOGP
1.54
XLogP3
0.9
Consensus LogP
1.39
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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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