![CAS 1031927-14-6 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1031927-14-6.gif)
CAS RN: 1031927-14-6
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester
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.20260110 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-004612
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1031927-14-6 / tert-butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate | DTXSID10649141 | tert-Butyl 1,9-diazaspiro(5.5)undecane-9-carboxylate
Basic Information
CAS
1031927-14-6
Multi CAS
Yes
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCCN2)CC1
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-7-14(8-11-16)6-4-5-9-15-14/h15H,4-11H2,1-3H3
InChIKey
FYXOOJBRPNJJRP-UHFFFAOYSA-N
Synonyms
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
DTXSID10649141
tert-Butyl 1,9-diazaspiro(5.5)undecane-9-carboxylate
RefChem:383097
DTXCID30599891
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.63
TPSA
41.57
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
1.9
Consensus LogP
2.22
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Corrosive
Signal
Warning
Danger
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]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye 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
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
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