![CAS 2007920-72-9 tert-butyl N-[trans-5-hydroxypiperidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007920-72-9.png)
CAS RN: 2007920-72-9
tert-butyl N-[trans-5-hydroxypiperidin-3-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.20250308 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2007920-72-9
- Purity/Analytical Methods: >99.0%
2007920-72-9 / tert-butyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]carbamate
Basic Information
CAS
2007920-72-9
Multi CAS
No
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC1)O
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(13)6-11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChIKey
YCMJZHSDAYCYFW-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.65
TPSA
70.59
LogP / Solubility
WLOGP
0.23
MLOGP
0.21
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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