![CAS 959704-59-7 Carbamic acid, N-1-oxaspiro[2.5]oct-6-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959704-59-7.gif)
CAS RN: 959704-59-7
Carbamic acid, N-1-oxaspiro[2.5]oct-6-yl-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-211723
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, 5g, 0.25g, 1g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 2 In Stock | Shanghai | Inquiry |
959704-59-7 / tert-butyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
Basic Information
CAS
959704-59-7
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-9-4-6-12(7-5-9)8-15-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKey
FSVLLSRKSDMUDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.31
TPSA
50.86
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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