CAS RN: 951163-63-6
TERT-BUTYL (3S,5S)-1-BENZYL-5-METHYLPIPERIDIN-3-YLCARBAMATE
- Product code: SSC-210350
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
951163-63-6 / tert-butyl N-(1-benzyl-5-methylpiperidin-3-yl)carbamate
Basic Information
CAS
951163-63-6
Multi CAS
Yes
Molecular Formula
C18H28N2O2
Molecular Weight
304.400000
Exact Mass
304.215078
InChI
InChI=1S/C18H28N2O2/c1-14-10-16(19-17(21)22-18(2,3)4)13-20(11-14)12-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,19,21)
InChIKey
XCMHWWZDAXHISG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.66
TPSA
41.57
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.5
Consensus LogP
3.31
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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