CAS RN: 916791-39-4
TERT-BUTYL 4-(3-(ETHOXYCARBONYL)-2-OXOPROPYL)PIPERIDINE-1-CARBOXYLATE
- Product code: SSC-205056
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
916791-39-4 / tert-butyl 4-(4-ethoxy-2,4-dioxobutyl)piperidine-1-carboxylate
Basic Information
CAS
916791-39-4
Multi CAS
No
Molecular Formula
C16H27NO5
Molecular Weight
313.390000
Exact Mass
313.188923
InChI
InChI=1S/C16H27NO5/c1-5-21-14(19)11-13(18)10-12-6-8-17(9-7-12)15(20)22-16(2,3)4/h12H,5-11H2,1-4H3
InChIKey
JDIFHIYGJWKGHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
81.41
TPSA
72.91
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
![CAS 916792-10-4 2-CHLORO[1,3]OXAZOLO[5,4-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5431663.gif)
