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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: 5g, 10g, 1g, 0.1g, 0.25g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 10g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
365572-48-1 / tert-butyl N-(hydroxymethyl)carbamate
Basic Information
CAS
365572-48-1
Multi CAS
No
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
InChI
InChI=1S/C6H13NO3/c1-6(2,3)10-5(9)7-4-8/h8H,4H2,1-3H3,(H,7,9)
InChIKey
WVBAFRIVZUVHNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.46
TPSA
58.56
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.3
Consensus LogP
0.39
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.29
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
1.5
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