![CAS 1029716-09-3 tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1029716-09-3.gif)
CAS RN: 1029716-09-3
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
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.20250608 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-004333
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, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- 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% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
1029716-09-3 / tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate | 1,1-Dimethylethyl N-[tetrahydro-4-(hydroxymethyl)-2H-pyran-4-yl]carbamate | tert-butyl N-(4-(hydroxymethyl)oxan-4-yl)carbamate
Basic Information
CAS
1029716-09-3
Multi CAS
No
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(8-13)4-6-15-7-5-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
QNPYJTQBCNHGDM-UHFFFAOYSA-N
Synonyms
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
1,1-Dimethylethyl N-[tetrahydro-4-(hydroxymethyl)-2H-pyran-4-yl]carbamate
tert-butyl N-(4-(hydroxymethyl)oxan-4-yl)carbamate
1,1-Dimethylethyl N-(tetrahydro-4-(hydroxymethyl)-2H-pyran-4-yl)carbamate
RefChem:896071
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.24
TPSA
67.79
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
0.5
Consensus LogP
0.83
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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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![CAS 1029720-45-3 Tert-Butyl 4,5,7,8-Tetrahydropyrazolo[3,4-D]Azepine-6(1H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1029720-45-3.gif)
