![CAS 724787-35-3 tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/724787-35-3.gif)
CAS RN: 724787-35-3
tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate
- Product code: SSC-181961
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
724787-35-3 / tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate
Basic Information
CAS
724787-35-3
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKey
MLTCALYMVICSBJ-SFYZADRCSA-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
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